2-[4-[[4-[[4-[(4-azanyl-2-methyl-phenyl)diazenyl]phenyl]carbonylamino]-3-sulfo-phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzene-1,4-disulfonic acid

Systemtic Name: 2-[4-[[4-[[4-[(4-azanyl-2-methyl-phenyl)diazenyl]phenyl]carbonylamino]-3-sulfo-phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzene-1,4-disulfonic acid Openeye Name: 2-[4-[4-[[4-(4-amino-2-methyl-phenyl)azobenzoyl]amino]-3-sulfo-phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzene-1,4-disulfonic acid CAS Name: 2-[4-[4-[[[4-(4-amino-2-methylphenyl)azophenyl]-oxomethyl]amino]-3-sulfophenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzene-1,4-disulfonic acid IUPAC Name: 2-[4-[[4-[[4-[(4-amino-2-methylphenyl)diazenyl]benzoyl]amino]-3-sulfophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzene-1,4-disulfonic acid Traditional Name: 2-[4-[4-[[4-(4-amino-2-methyl-phenyl)azobenzoyl]amino]-3-sulfo-phenyl]azo-5-keto-3-methyl-2-pyrazolin-1-yl]benzene-1,4-disulfonic acid Formula: C30H26N8O11S3 MolecularWeight: 770.76944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)N=NC2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)N=NC4C(=NN(C4=O)C5=C(C=CC(=C5)S(=O)(=O)O)S(=O)(=O)O)C)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N)N=NC2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)N=NC4C(=NN(C4=O)C5=C(C=CC(=C5)S(=O)(=O)O)S(=O)(=O)O)C)S(=O)(=O)O

InChI

InChI=1S/C30H26N8O11S3/c1-16-13-19(31)5-10-23(16)35-33-20-6-3-18(4-7-20)29(39)32-24-11-8-21(14-27(24)52(47,48)49)34-36-28-17(2)37-38(30(28)40)25-15-22(50(41,42)43)9-12-26(25)51(44,45)46/h3-15,28H,31H2,1-2H3,(H,32,39)(H,41,42,43)(H,44,45,46)(H,47,48,49)