5-[(4-acetamido-2-sulfo-phenyl)diazenyl]-5-azanyl-4-oxidanyl-1H-naphthalene-2-sulfonic acid

Systemtic Name: 5-[(4-acetamido-2-sulfo-phenyl)diazenyl]-5-azanyl-4-oxidanyl-1H-naphthalene-2-sulfonic acid Openeye Name: 5-(4-acetamido-2-sulfo-phenyl)azo-5-amino-4-hydroxy-1H-naphthalene-2-sulfonic acid CAS Name: 5-(4-acetamido-2-sulfophenyl)azo-5-amino-4-hydroxy-1H-naphthalene-2-sulfonic acid IUPAC Name: 5-[(4-acetamido-2-sulfophenyl)diazenyl]-5-amino-4-hydroxy-1H-naphthalene-2-sulfonic acid Traditional Name: 5-(4-acetamido-2-sulfo-phenyl)azo-5-amino-4-hydroxy-1H-naphthalene-2-sulfonic acid Formula: C18H18N4O8S2 MolecularWeight: 482.48752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)N=NC2(C=CC=C3C2=C(C=C(C3)S(=O)(=O)O)O)N)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)N=NC2(C=CC=C3C2=C(C=C(C3)S(=O)(=O)O)O)N)S(=O)(=O)O

InChI

InChI=1S/C18H18N4O8S2/c1-10(23)20-12-4-5-14(16(8-12)32(28,29)30)21-22-18(19)6-2-3-11-7-13(31(25,26)27)9-15(24)17(11)18/h2-6,8-9,24H,7,19H2,1H3,(H,20,23)(H,25,26,27)(H,28,29,30)