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

Systemtic Name: sodium (3Z)-5-benzamido-4-oxidanylidene-7-sulfo-3-[[1-sulfo-6-(2-sulfooxyethylsulfonyl)naphthalen-2-yl]hydrazinylidene]naphthalene-2-sulfonate Openeye Name: sodium (3Z)-5-benzamido-4-oxo-7-sulfo-3-[[1-sulfo-6-(2-sulfooxyethylsulfonyl)-2-naphthyl]hydrazono]naphthalene-2-sulfonate CAS Name: sodium (3Z)-5-benzamido-4-oxo-7-sulfo-3-[[1-sulfo-6-(2-sulfooxyethylsulfonyl)-2-naphthalenyl]hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: sodium (3Z)-5-benzamido-4-oxo-7-sulfo-3-[[1-sulfo-6-(2-sulfooxyethylsulfonyl)naphthalen-2-yl]hydrazinylidene]naphthalene-2-sulfonate Traditional Name: sodium (3Z)-5-benzamido-4-keto-7-sulfo-3-[[1-sulfo-6-(2-sulfoxyethylsulfonyl)-2-naphthyl]hydrazono]naphthalene-2-sulfonate Formula: C29H22N3NaO17S5 MolecularWeight: 867.80965

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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-].[Na+]

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-].[Na+]

InChI

InChI=1S/C29H23N3O17S5.Na/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);/q;+1/p-1/b32-26+;