(6E)-4-benzamido-7-methyl-5-oxidanylidene-6-[(1-sulfonaphthalen-2-yl)hydrazinylidene]naphthalene-2-sulfonic acid

Systemtic Name: (6E)-4-benzamido-7-methyl-5-oxidanylidene-6-[(1-sulfonaphthalen-2-yl)hydrazinylidene]naphthalene-2-sulfonic acid Openeye Name: (6E)-4-benzamido-7-methyl-5-oxo-6-[(1-sulfo-2-naphthyl)hydrazono]naphthalene-2-sulfonic acid CAS Name: (6E)-4-benzamido-7-methyl-5-oxo-6-[(1-sulfo-2-naphthalenyl)hydrazinylidene]-2-naphthalenesulfonic acid IUPAC Name: (6E)-4-benzamido-7-methyl-5-oxo-6-[(1-sulfonaphthalen-2-yl)hydrazinylidene]naphthalene-2-sulfonic acid Traditional Name: (6E)-4-benzamido-5-keto-7-methyl-6-[(1-sulfo-2-naphthyl)hydrazono]naphthalene-2-sulfonic acid Formula: C28H21N3O8S2 MolecularWeight: 591.61164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=CC(=C2C(=O)C1=NNC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)O)NC(=O)C5=CC=CC=C5)S(=O)(=O)O

Isomeric SMILES

CC\1=CC2=CC(=CC(=C2C(=O)/C1=N/NC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)O)NC(=O)C5=CC=CC=C5)S(=O)(=O)O

InChI

InChI=1S/C28H21N3O8S2/c1-16-13-19-14-20(40(34,35)36)15-23(29-28(33)18-8-3-2-4-9-18)24(19)26(32)25(16)31-30-22-12-11-17-7-5-6-10-21(17)27(22)41(37,38)39/h2-15,30H,1H3,(H,29,33)(H,34,35,36)(H,37,38,39)/b31-25+