trisodium (3Z)-3-[(4-methoxy-2-sulfonato-phenyl)hydrazinylidene]-6-[methyl(2-sulfonatooxyethylsulfonyl)amino]-4-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: trisodium (3Z)-3-[(4-methoxy-2-sulfonato-phenyl)hydrazinylidene]-6-[methyl(2-sulfonatooxyethylsulfonyl)amino]-4-oxidanylidene-naphthalene-2-sulfonate Openeye Name: trisodium (3Z)-3-[(4-methoxy-2-sulfonato-phenyl)hydrazono]-6-[methyl(2-sulfonatooxyethylsulfonyl)amino]-4-oxo-naphthalene-2-sulfonate CAS Name: trisodium (3Z)-3-[(4-methoxy-2-sulfonatophenyl)hydrazinylidene]-6-[methyl(2-sulfonatooxyethylsulfonyl)amino]-4-oxo-2-naphthalenesulfonate IUPAC Name: trisodium (3Z)-3-[(4-methoxy-2-sulfonatophenyl)hydrazinylidene]-6-[methyl(2-sulfonatooxyethylsulfonyl)amino]-4-oxonaphthalene-2-sulfonate Traditional Name: trisodium (3Z)-4-keto-3-[(4-methoxy-2-sulfonato-phenyl)hydrazono]-6-[methyl(2-sulfatoethylsulfonyl)amino]naphthalene-2-sulfonate Formula: C20H18N3Na3O14S4 MolecularWeight: 721.59793

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O14S4.3Na/c1-23(38(25,26)8-7-37-41(33,34)35)13-4-3-12-9-18(40(30,31)32)19(20(24)15(12)10-13)22-21-16-6-5-14(36-2)11-17(16)39(27,28)29;;;/h3-6,9-11,21H,7-8H2,1-2H3,(H,27,28,29)(H,30,31,32)(H,33,34,35);;;/q;3*+1/p-3/b22-19+;;;