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

Systemtic Name: trisodium; copper; (4Z)-3-oxidanylidene-4-[[2-oxidanyl-5-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: trisodium; copper; (4Z)-4-[[2-hydroxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazono]-3-oxo-naphthalene-2,7-disulfonate CAS Name: trisodium; copper; (4Z)-4-[[2-hydroxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate IUPAC Name: trisodium; copper; (4Z)-4-[[2-hydroxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate Traditional Name: trisodium; copper; (4Z)-4-[[2-hydroxy-5-(2-sulfatoethylsulfonyl)phenyl]hydrazono]-3-keto-naphthalene-2,7-disulfonate Formula: C18H13CuN2Na3O14S4 MolecularWeight: 742.07613

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)[O-])C=C(C(=O)C2=NNC3=C(C=CC(=C3)S(=O)(=O)CCOS(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cu]

Isomeric SMILES

C1=CC\2=C(C=C1S(=O)(=O)[O-])C=C(C(=O)/C2=N\NC3=C(C=CC(=C3)S(=O)(=O)CCOS(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cu]

InChI

InChI=1S/C18H16N2O14S4.Cu.3Na/c21-15-4-2-11(35(23,24)6-5-34-38(31,32)33)9-14(15)19-20-17-13-3-1-12(36(25,26)27)7-10(13)8-16(18(17)22)37(28,29)30;;;;/h1-4,7-9,19,21H,5-6H2,(H,25,26,27)(H,28,29,30)(H,31,32,33);;;;/q;;3*+1/p-3/b20-17-;;;;