4-azanyl-5-oxidanyl-naphthalene-2,7-disulfonic acid; 4-methylbenzenesulfonic acid

Systemtic Name: 4-azanyl-5-oxidanyl-naphthalene-2,7-disulfonic acid; 4-methylbenzenesulfonic acid Openeye Name: 4-amino-5-hydroxy-naphthalene-2,7-disulfonic acid; 4-methylbenzenesulfonic acid CAS Name: 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid; 4-methylbenzenesulfonic acid IUPAC Name: 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid; 4-methylbenzenesulfonic acid Traditional Name: 4-amino-5-hydroxy-naphthalene-2,7-disulfonic acid; tosylic acid Formula: C17H17NO10S3 MolecularWeight: 491.51258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)N)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)N)O)S(=O)(=O)O

InChI

InChI=1S/C10H9NO7S2.C7H8O3S/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;1-6-2-4-7(5-3-6)11(8,9)10/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);2-5H,1H3,(H,8,9,10)