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2-azanyl-5-(5-carboxyoxy-3-oxidanylidene-1H-pyrazol-2-yl)benzene-1,4-disulfonic acid; 2-azanyl-5-(5-carboxyoxy-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid; 4-azanyl-2-(5-carboxyoxy-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid; 3-azanyl-5-(5-carboxyoxy-3-oxidanylidene-1H-pyrazol-2-yl)-4-methyl-benzenesulfonic acid; 5-azanyl-3-(5-carboxyoxy-3-oxidanylidene-1H-pyrazol-2-yl)-2-methyl-benzenesulfonic acid; 3-azanyl-4-methyl-5-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid; 5-azan

Systemtic Name:	2-azanyl-5-(5-carboxyoxy-3-oxidanylidene-1H-pyrazol-2-yl)benzene-1,4-disulfonic acid; 2-azanyl-5-(5-carboxyoxy-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid; 4-azanyl-2-(5-carboxyoxy-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid; 3-azanyl-5-(5-carboxyoxy-3-oxidanylidene-1H-pyrazol-2-yl)-4-methyl-benzenesulfonic acid; 5-azanyl-3-(5-carboxyoxy-3-oxidanylidene-1H-pyrazol-2-yl)-2-methyl-benzenesulfonic acid; 3-azanyl-4-methyl-5-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid; 5-azan
Openeye Name:	2-amino-5-(5-carboxyoxy-3-oxo-1H-pyrazol-2-yl)benzene-1,4-disulfonic acid; 2-amino-5-(5-carboxyoxy-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid; 4-amino-2-(5-carboxyoxy-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid; 3-amino-5-(5-carboxyoxy-3-oxo-1H-pyrazol-2-yl)-4-methyl-benzenesulfonic acid; 5-amino-3-(5-carboxyoxy-3-oxo-1H-pyrazol-2-yl)-2-methyl-benzenesulfonic acid; 3-amino-4-methyl-5-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid; 5-amino-2-methyl-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid;
CAS Name:	2-amino-5-(5-carboxyoxy-3-oxo-1H-pyrazol-2-yl)benzene-1,4-disulfonic acid; 2-amino-5-(5-carboxyoxy-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid; 4-amino-2-(5-carboxyoxy-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid; 3-amino-5-(5-carboxyoxy-3-oxo-1H-pyrazol-2-yl)-4-methylbenzenesulfonic acid; 5-amino-3-(5-carboxyoxy-3-oxo-1H-pyrazol-2-yl)-2-methylbenzenesulfonic acid; 3-amino-4-methyl-5-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid; 5-amino-2-methyl-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid; 2
IUPAC Name:	2-amino-5-(5-carboxyoxy-3-oxo-1H-pyrazol-2-yl)benzene-1,4-disulfonic acid; 2-amino-5-(5-carboxyoxy-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid; 4-amino-2-(5-carboxyoxy-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid; 3-amino-5-(5-carboxyoxy-3-oxo-1H-pyrazol-2-yl)-4-methylbenzenesulfonic acid; 5-amino-3-(5-carboxyoxy-3-oxo-1H-pyrazol-2-yl)-2-methylbenzenesulfonic acid; 3-amino-4-methyl-5-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid; 5-amino-2-methyl-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid; 2
Traditional Name:	2-amino-5-(3-carboxyoxy-5-keto-3-pyrazolin-1-yl)benzene-1,4-disulfonic acid; 2-amino-5-(3-carboxyoxy-5-keto-3-pyrazolin-1-yl)besylic acid; 4-amino-2-(3-carboxyoxy-5-keto-3-pyrazolin-1-yl)besylic acid; 3-amino-5-(3-carboxyoxy-5-keto-3-pyrazolin-1-yl)-4-methyl-besylic acid; 5-amino-3-(3-carboxyoxy-5-keto-3-pyrazolin-1-yl)-2-methyl-besylic acid; 2-amino-5-(5-keto-3-methyl-3-pyrazolin-1-yl)besylic acid; 4-amino-2-(5-keto-3-methyl-3-pyrazolin-1-yl)besylic acid; 5-amino-2-(5-keto-3-methyl-3-pyrazolin-1-yl)besylic
Formula:	C₁₀₄H₁₀₈N₃₀O₅₈S₁₁
MolecularWeight:	3058.85152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)C2=CC(=C(C=C2)N)S(=O)(=O)O.CC1=CC(=O)N(N1)C2=C(C=C(C=C2)N)S(=O)(=O)O.CC1=CC(=O)N(N1)C2=CC(=CC(=C2C)S(=O)(=O)O)N.CC1=CC(=O)N(N1)C2=CC(=CC(=C2C)N)S(=O)(=O)O.CC1=CC(=O)N(N1)C2=C(C=CC(=C2)N)S(=O)(=O)O.CC1=C(C=C(C=C1N2C(=O)C=C(N2)OC(=O)O)S(=O)(=O)O)N.CC1=C(C=C(C=C1N2C(=O)C=C(N2)OC(=O)O)N)S(=O)(=O)O.C1=CC(=C(C=C1N)N2C(=O)C=C(N2)OC(=O)O)S(=O)(=O)O.C1=CC(=C(C=C1N2C(=O)C=C(N2)OC(=O)O)S(=O)(=O)O)N.C1=C(C(=CC(=C1S(=O)(=O)O)N)S(=O)(=O)O)N2C(=O)C=C(N2)OC(=O)O

Isomeric SMILES

InChI

InChI=1S/2C11H11N3O7S.2C11H13N3O4S.C10H9N3O10S2.2C10H9N3O7S.3C10H11N3O4S/c1-5-7(12)2-6(22(18,19)20)3-8(5)14-10(15)4-9(13-14)21-11(16)17;1-5-7(2-6(12)3-8(5)22(18,19)20)14-10(15)4-9(13-14)21-11(16)17;1-6-3-11(15)14(13-6)10-5-8(19(16,17)18)4-9(12)7(10)2;1-6-3-11(15)14(13-6)9-4-8(12)5-10(7(9)2)19(16,17)18;11-4-1-7(25(20,21)22)5(2-6(4)24(17,18)19)13-9(14)3-8(12-13)23-10(15)16;11-5-1-2-7(21(17,18)19)6(3-5)13-9(14)4-8(12-13)20-10(15)16;11-6-2-1-5(3-7(6)21(17,18)19)13-9(14)4-8(12-13)20-10(15)16;1-6-4-10(14)13(12-6)8-5-7(11)2-3-9(8)18(15,16)17;1-6-4-10(14)13(12-6)7-2-3-8(11)9(5-7)18(15,16)17;1-6-4-10(14)13(12-6)8-3-2-7(11)5-9(8)18(15,16)17/h2*2-4,13H,12H2,1H3,(H,16,17)(H,18,19,20);2*3-5,13H,12H2,1-2H3,(H,16,17,18);1-3,12H,11H2,(H,15,16)(H,17,18,19)(H,20,21,22);2*1-4,12H,11H2,(H,15,16)(H,17,18,19);3*2-5,12H,11H2,1H3,(H,15,16,17)

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