disodium 4-[(2E)-2-[4-oxidanyl-6-oxidanylidene-3-[(4-sulfonatophenyl)diazenyl]cyclohexa-2,4-dien-1-ylidene]hydrazinyl]benzenesulfonate

Systemtic Name: disodium 4-[(2E)-2-[4-oxidanyl-6-oxidanylidene-3-[(4-sulfonatophenyl)diazenyl]cyclohexa-2,4-dien-1-ylidene]hydrazinyl]benzenesulfonate Openeye Name: disodium 4-[(2E)-2-[4-hydroxy-6-oxo-3-(4-sulfonatophenyl)azo-cyclohexa-2,4-dien-1-ylidene]hydrazino]benzenesulfonate CAS Name: disodium 4-[(2E)-2-[4-hydroxy-6-oxo-3-(4-sulfonatophenyl)azo-1-cyclohexa-2,4-dienylidene]hydrazinyl]benzenesulfonate IUPAC Name: disodium 4-[(2E)-2-[4-hydroxy-6-oxo-3-[(4-sulfonatophenyl)diazenyl]cyclohexa-2,4-dien-1-ylidene]hydrazinyl]benzenesulfonate Traditional Name: disodium 4-[(N'E)-N'-[4-hydroxy-6-keto-3-(4-sulfonatophenyl)azo-cyclohexa-2,4-dien-1-ylidene]hydrazino]besylate Formula: C18H12N4Na2O8S2 MolecularWeight: 522.41942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=C2C=C(C(=CC2=O)O)N=NC3=CC=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N/N=C/2\C=C(C(=CC2=O)O)N=NC3=CC=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H14N4O8S2.2Na/c23-17-10-18(24)16(22-20-12-3-7-14(8-4-12)32(28,29)30)9-15(17)21-19-11-1-5-13(6-2-11)31(25,26)27;;/h1-10,19,24H,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2/b21-15+,22-20?;;