trisodium (3Z)-5-acetamido-4-oxidanylidene-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonate

Systemtic Name: trisodium (3Z)-5-acetamido-4-oxidanylidene-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: trisodium (3Z)-5-acetamido-4-oxo-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazono]naphthalene-2,7-disulfonate CAS Name: trisodium (3Z)-5-acetamido-4-oxo-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonate IUPAC Name: trisodium (3Z)-5-acetamido-4-oxo-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonate Traditional Name: trisodium (3Z)-5-acetamido-4-keto-3-[[4-(2-sulfatoethylsulfonyl)phenyl]hydrazono]naphthalene-2,7-disulfonate Formula: C20H16N3Na3O14S4 MolecularWeight: 719.58205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O14S4.3Na/c1-11(24)21-16-10-15(39(28,29)30)8-12-9-17(40(31,32)33)19(20(25)18(12)16)23-22-13-2-4-14(5-3-13)38(26,27)7-6-37-41(34,35)36;;;/h2-5,8-10,22H,6-7H2,1H3,(H,21,24)(H,28,29,30)(H,31,32,33)(H,34,35,36);;;/q;3*+1/p-3/b23-19+;;;