sodium (6E)-4-benzamido-5-oxidanylidene-7-sulfo-6-[[4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-1-sulfonate

Systemtic Name: sodium (6E)-4-benzamido-5-oxidanylidene-7-sulfo-6-[[4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-1-sulfonate Openeye Name: sodium (6E)-4-benzamido-5-oxo-7-sulfo-6-[[4-(2-sulfooxyethylsulfonyl)phenyl]hydrazono]naphthalene-1-sulfonate CAS Name: sodium (6E)-4-benzamido-5-oxo-7-sulfo-6-[[4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-1-naphthalenesulfonate IUPAC Name: sodium (6E)-4-benzamido-5-oxo-7-sulfo-6-[[4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-1-sulfonate Traditional Name: sodium (6E)-4-benzamido-5-keto-7-sulfo-6-[[4-(2-sulfoxyethylsulfonyl)phenyl]hydrazono]naphthalene-1-sulfonate Formula: C25H20N3NaO14S4 MolecularWeight: 737.68777

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)S(=O)(=O)[O-])C=C(C(=NNC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)O)C3=O)S(=O)(=O)O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)S(=O)(=O)[O-])C=C(/C(=N/NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)O)/C3=O)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C25H21N3O14S4.Na/c29-24-22-18(20(44(33,34)35)11-10-19(22)26-25(30)15-4-2-1-3-5-15)14-21(45(36,37)38)23(24)28-27-16-6-8-17(9-7-16)43(31,32)13-12-42-46(39,40)41;/h1-11,14,27H,12-13H2,(H,26,30)(H,33,34,35)(H,36,37,38)(H,39,40,41);/q;+1/p-1/b28-23-;