7-[3-(3-aminocarbonylpyridin-1-ium-1-yl)propanoylamino]-3-[[4-[3-(3-methylimidazol-3-ium-1-yl)propanoylamino]phenyl]diazenyl]-4-oxidanidyl-naphthalene-2-sulfonate; ethanoic acid

Systemtic Name: 7-[3-(3-aminocarbonylpyridin-1-ium-1-yl)propanoylamino]-3-[[4-[3-(3-methylimidazol-3-ium-1-yl)propanoylamino]phenyl]diazenyl]-4-oxidanidyl-naphthalene-2-sulfonate; ethanoic acid Openeye Name: acetic acid; 7-[3-(3-carbamoylpyridin-1-ium-1-yl)propanoylamino]-3-[4-[3-(3-methylimidazol-3-ium-1-yl)propanoylamino]phenyl]azo-4-oxido-naphthalene-2-sulfonate CAS Name: acetic acid; 7-[[3-(3-carbamoyl-1-pyridin-1-iumyl)-1-oxopropyl]amino]-3-[4-[[3-(3-methyl-1-imidazol-3-iumyl)-1-oxopropyl]amino]phenyl]azo-4-oxido-2-naphthalenesulfonate IUPAC Name: acetic acid; 7-[3-(3-carbamoylpyridin-1-ium-1-yl)propanoylamino]-3-[[4-[3-(3-methylimidazol-3-ium-1-yl)propanoylamino]phenyl]diazenyl]-4-oxidonaphthalene-2-sulfonate Traditional Name: acetic acid; 7-[3-(3-carbamoylpyridin-1-ium-1-yl)propanoylamino]-3-[4-[3-(3-methylimidazol-3-ium-1-yl)propanoylamino]phenyl]azo-4-oxido-naphthalene-2-sulfonate Formula: C34H34N8O9S MolecularWeight: 730.74696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C[N+]1=CN(C=C1)CCC(=O)NC2=CC=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3[O-])NC(=O)CC[N+]5=CC=CC(=C5)C(=O)N)S(=O)(=O)[O-]

Isomeric SMILES

CC(=O)O.C[N+]1=CN(C=C1)CCC(=O)NC2=CC=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3[O-])NC(=O)CC[N+]5=CC=CC(=C5)C(=O)N)S(=O)(=O)[O-]

InChI

InChI=1S/C32H30N8O7S.C2H4O2/c1-38-15-16-40(20-38)14-11-28(41)34-23-4-6-24(7-5-23)36-37-30-27(48(45,46)47)18-22-17-25(8-9-26(22)31(30)43)35-29(42)10-13-39-12-2-3-21(19-39)32(33)44;1-2(3)4/h2-9,12,15-20H,10-11,13-14H2,1H3,(H4-2,33,34,35,36,37,41,42,43,44,45,46,47);1H3,(H,3,4)