trisodium (3Z)-6-acetamido-4-oxidanylidene-3-[[4-(2-phosphonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: trisodium (3Z)-6-acetamido-4-oxidanylidene-3-[[4-(2-phosphonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2-sulfonate Openeye Name: trisodium (3Z)-6-acetamido-4-oxo-3-[[4-(2-phosphonatooxyethylsulfonyl)phenyl]hydrazono]naphthalene-2-sulfonate CAS Name: trisodium (3Z)-6-acetamido-4-oxo-3-[[4-(2-phosphonatooxyethylsulfonyl)phenyl]hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: trisodium (3Z)-6-acetamido-4-oxo-3-[[4-(2-phosphonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2-sulfonate Traditional Name: trisodium (3Z)-6-acetamido-4-keto-3-[[4-(2-phosphatoethylsulfonyl)phenyl]hydrazono]naphthalene-2-sulfonate Formula: C20H17N3Na3O11PS2 MolecularWeight: 639.435551

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N3O11PS2.3Na/c1-12(24)21-15-3-2-13-10-18(37(31,32)33)19(20(25)17(13)11-15)23-22-14-4-6-16(7-5-14)36(29,30)9-8-34-35(26,27)28;;;/h2-7,10-11,22H,8-9H2,1H3,(H,21,24)(H2,26,27,28)(H,31,32,33);;;/q;3*+1/p-3/b23-19+;;;