disodium 2-[[(3Z)-3-[(2-methoxy-5-sulfonato-phenyl)hydrazinylidene]-6-oxidanyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]diazenyl]-5-nitro-benzenesulfonate

Systemtic Name: disodium 2-[[(3Z)-3-[(2-methoxy-5-sulfonato-phenyl)hydrazinylidene]-6-oxidanyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]diazenyl]-5-nitro-benzenesulfonate Openeye Name: disodium 2-[(3Z)-6-hydroxy-3-[(2-methoxy-5-sulfonato-phenyl)hydrazono]-4-oxo-cyclohexa-1,5-dien-1-yl]azo-5-nitro-benzenesulfonate CAS Name: disodium 2-[[(3Z)-6-hydroxy-3-[(2-methoxy-5-sulfonatophenyl)hydrazinylidene]-4-oxo-1-cyclohexa-1,5-dienyl]azo]-5-nitrobenzenesulfonate IUPAC Name: disodium 2-[[(3Z)-6-hydroxy-3-[(2-methoxy-5-sulfonatophenyl)hydrazinylidene]-4-oxocyclohexa-1,5-dien-1-yl]diazenyl]-5-nitrobenzenesulfonate Traditional Name: disodium 2-[(3Z)-6-hydroxy-4-keto-3-[(2-methoxy-5-sulfonato-phenyl)hydrazono]cyclohexa-1,5-dien-1-yl]azo-5-nitro-besylate Formula: C19H13N5Na2O11S2 MolecularWeight: 597.44296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)[O-])NN=C2C=C(C(=CC2=O)O)N=NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)[O-])N/N=C\2/C=C(C(=CC2=O)O)N=NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C19H15N5O11S2.2Na/c1-35-18-5-3-11(36(29,30)31)7-15(18)23-22-14-8-13(16(25)9-17(14)26)21-20-12-4-2-10(24(27)28)6-19(12)37(32,33)34;;/h2-9,23,25H,1H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2/b21-20?,22-14-;;