sodium (3Z)-5-acetamido-4-oxidanylidene-7-sulfo-3-[[8-(2-sulfooxyethylsulfonyl)naphthalen-2-yl]hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: sodium (3Z)-5-acetamido-4-oxidanylidene-7-sulfo-3-[[8-(2-sulfooxyethylsulfonyl)naphthalen-2-yl]hydrazinylidene]naphthalene-2-sulfonate Openeye Name: sodium (3Z)-5-acetamido-4-oxo-7-sulfo-3-[[8-(2-sulfooxyethylsulfonyl)-2-naphthyl]hydrazono]naphthalene-2-sulfonate CAS Name: sodium (3Z)-5-acetamido-4-oxo-7-sulfo-3-[[8-(2-sulfooxyethylsulfonyl)-2-naphthalenyl]hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: sodium (3Z)-5-acetamido-4-oxo-7-sulfo-3-[[8-(2-sulfooxyethylsulfonyl)naphthalen-2-yl]hydrazinylidene]naphthalene-2-sulfonate Traditional Name: sodium (3Z)-5-acetamido-4-keto-7-sulfo-3-[[8-(2-sulfoxyethylsulfonyl)-2-naphthyl]hydrazono]naphthalene-2-sulfonate Formula: C24H20N3NaO14S4 MolecularWeight: 725.67707

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C(=NNC3=CC4=C(C=CC=C4S(=O)(=O)CCOS(=O)(=O)O)C=C3)C2=O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(/C(=N\NC3=CC4=C(C=CC=C4S(=O)(=O)CCOS(=O)(=O)O)C=C3)/C2=O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C24H21N3O14S4.Na/c1-13(28)25-19-12-17(43(32,33)34)9-15-10-21(44(35,36)37)23(24(29)22(15)19)27-26-16-6-5-14-3-2-4-20(18(14)11-16)42(30,31)8-7-41-45(38,39)40;/h2-6,9-12,26H,7-8H2,1H3,(H,25,28)(H,32,33,34)(H,35,36,37)(H,38,39,40);/q;+1/p-1/b27-23+;