7-[(2-acetamido-4-methyl-phenyl)diazenyl]-3-(trioxidanylsulfanyl)naphthalene-1,6-disulfonic acid

Systemtic Name: 7-[(2-acetamido-4-methyl-phenyl)diazenyl]-3-(trioxidanylsulfanyl)naphthalene-1,6-disulfonic acid Openeye Name: 7-(2-acetamido-4-methyl-phenyl)azo-3-(trioxidanylsulfanyl)naphthalene-1,6-disulfonic acid CAS Name: 7-(2-acetamido-4-methylphenyl)azo-3-(trioxidanylthio)naphthalene-1,6-disulfonic acid IUPAC Name: 7-[(2-acetamido-4-methylphenyl)diazenyl]-3-(trioxidanylsulfanyl)naphthalene-1,6-disulfonic acid Traditional Name: 7-(2-acetamido-4-methyl-phenyl)azo-3-(trioxidanylthio)naphthalene-1,6-disulfonic acid Formula: C19H17N3O10S3 MolecularWeight: 543.54738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N=NC2=C(C=C3C=C(C=C(C3=C2)S(=O)(=O)O)SOOO)S(=O)(=O)O)NC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N=NC2=C(C=C3C=C(C=C(C3=C2)S(=O)(=O)O)SOOO)S(=O)(=O)O)NC(=O)C

InChI

InChI=1S/C19H17N3O10S3/c1-10-3-4-15(16(5-10)20-11(2)23)21-22-17-9-14-12(7-19(17)35(28,29)30)6-13(33-32-31-24)8-18(14)34(25,26)27/h3-9,24H,1-2H3,(H,20,23)(H,25,26,27)(H,28,29,30)