(3Z)-5-benzamido-4-oxidanylidene-3-[[1-sulfo-6-(2-sulfooxyethylsulfonyl)naphthalen-2-yl]hydrazinylidene]naphthalene-2,7-disulfonic acid

Systemtic Name: (3Z)-5-benzamido-4-oxidanylidene-3-[[1-sulfo-6-(2-sulfooxyethylsulfonyl)naphthalen-2-yl]hydrazinylidene]naphthalene-2,7-disulfonic acid Openeye Name: (3Z)-5-benzamido-4-oxo-3-[[1-sulfo-6-(2-sulfooxyethylsulfonyl)-2-naphthyl]hydrazono]naphthalene-2,7-disulfonic acid CAS Name: (3Z)-5-benzamido-4-oxo-3-[[1-sulfo-6-(2-sulfooxyethylsulfonyl)-2-naphthalenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid IUPAC Name: (3Z)-5-benzamido-4-oxo-3-[[1-sulfo-6-(2-sulfooxyethylsulfonyl)naphthalen-2-yl]hydrazinylidene]naphthalene-2,7-disulfonic acid Traditional Name: (3Z)-5-benzamido-4-keto-3-[[1-sulfo-6-(2-sulfoxyethylsulfonyl)-2-naphthyl]hydrazono]naphthalene-2,7-disulfonic acid Formula: C29H23N3O17S5 MolecularWeight: 845.82782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C(=NNC4=C(C5=C(C=C4)C=C(C=C5)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)C3=O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(/C(=N\NC4=C(C5=C(C=C4)C=C(C=C5)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)/C3=O)S(=O)(=O)O

InChI

InChI=1S/C29H23N3O17S5/c33-27-25-18(13-20(51(37,38)39)15-23(25)30-29(34)16-4-2-1-3-5-16)14-24(52(40,41)42)26(27)32-31-22-9-6-17-12-19(7-8-21(17)28(22)53(43,44)45)50(35,36)11-10-49-54(46,47)48/h1-9,12-15,31H,10-11H2,(H,30,34)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)/b32-26+