3-acetamido-6-[(4-acetamido-2-sulfo-phenyl)diazenyl]-2-[4-(dimethylamino)naphthalen-1-yl]benzenesulfonic acid

Systemtic Name: 3-acetamido-6-[(4-acetamido-2-sulfo-phenyl)diazenyl]-2-[4-(dimethylamino)naphthalen-1-yl]benzenesulfonic acid Openeye Name: 3-acetamido-6-(4-acetamido-2-sulfo-phenyl)azo-2-[4-(dimethylamino)-1-naphthyl]benzenesulfonic acid CAS Name: 3-acetamido-6-(4-acetamido-2-sulfophenyl)azo-2-[4-(dimethylamino)-1-naphthalenyl]benzenesulfonic acid IUPAC Name: 3-acetamido-6-[(4-acetamido-2-sulfophenyl)diazenyl]-2-[4-(dimethylamino)naphthalen-1-yl]benzenesulfonic acid Traditional Name: 3-acetamido-6-(4-acetamido-2-sulfo-phenyl)azo-2-[4-(dimethylamino)-1-naphthyl]besylic acid Formula: C28H27N5O8S2 MolecularWeight: 625.67268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)N=NC2=C(C(=C(C=C2)NC(=O)C)C3=CC=C(C4=CC=CC=C43)N(C)C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)N=NC2=C(C(=C(C=C2)NC(=O)C)C3=CC=C(C4=CC=CC=C43)N(C)C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C28H27N5O8S2/c1-16(34)29-18-9-11-22(26(15-18)42(36,37)38)31-32-24-13-12-23(30-17(2)35)27(28(24)43(39,40)41)21-10-14-25(33(3)4)20-8-6-5-7-19(20)21/h5-15H,1-4H3,(H,29,34)(H,30,35)(H,36,37,38)(H,39,40,41)