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

Systemtic Name: trisodium (3Z)-5-acetamido-4-oxidanylidene-3-[[2-oxidanyl-5-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: trisodium (3Z)-5-acetamido-3-[[2-hydroxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: trisodium (3Z)-5-acetamido-3-[[2-hydroxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: trisodium (3Z)-5-acetamido-3-[[2-hydroxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: trisodium (3Z)-5-acetamido-3-[[2-hydroxy-5-(2-sulfatoethylsulfonyl)phenyl]hydrazono]-4-keto-naphthalene-2,7-disulfonate Formula: C20H16N3Na3O15S4 MolecularWeight: 735.58145

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H19N3O15S4.3Na/c1-10(24)21-15-9-13(40(29,30)31)6-11-7-17(41(32,33)34)19(20(26)18(11)15)23-22-14-8-12(2-3-16(14)25)39(27,28)5-4-38-42(35,36)37;;;/h2-3,6-9,22,25H,4-5H2,1H3,(H,21,24)(H,29,30,31)(H,32,33,34)(H,35,36,37);;;/q;3*+1/p-3/b23-19+;;;