sodium (3Z)-7-acetamido-4-oxidanylidene-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: sodium (3Z)-7-acetamido-4-oxidanylidene-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2-sulfonate Openeye Name: sodium (3Z)-7-acetamido-4-oxo-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]hydrazono]naphthalene-2-sulfonate CAS Name: sodium (3Z)-7-acetamido-4-oxo-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: sodium (3Z)-7-acetamido-4-oxo-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2-sulfonate Traditional Name: sodium (3Z)-7-acetamido-4-keto-3-[[4-(2-sulfoxyethylsulfonyl)phenyl]hydrazono]naphthalene-2-sulfonate Formula: C20H18N3NaO11S3 MolecularWeight: 595.55519

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=O)C(=NNC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O)C(=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=O)/C(=N/NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O)/C(=C2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C20H19N3O11S3.Na/c1-12(24)21-15-4-7-17-13(10-15)11-18(36(28,29)30)19(20(17)25)23-22-14-2-5-16(6-3-14)35(26,27)9-8-34-37(31,32)33;/h2-7,10-11,22H,8-9H2,1H3,(H,21,24)(H,28,29,30)(H,31,32,33);/q;+1/p-1/b23-19+;