trisodium 8-methyl-7-[(2E)-2-(5-oxidanidylperoxysulfanyl-6-oxidanylidene-3-sulfonato-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]quinoline-5-sulfonate

Systemtic Name: trisodium 8-methyl-7-[(2E)-2-(5-oxidanidylperoxysulfanyl-6-oxidanylidene-3-sulfonato-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]quinoline-5-sulfonate Openeye Name: trisodium 8-methyl-7-[(2E)-2-(5-oxidoperoxysulfanyl-6-oxo-3-sulfonato-cyclohexa-2,4-dien-1-ylidene)hydrazino]quinoline-5-sulfonate CAS Name: trisodium 8-methyl-7-[(2E)-2-[5-(oxidodioxythio)-6-oxo-3-sulfonato-1-cyclohexa-2,4-dienylidene]hydrazinyl]-5-quinolinesulfonate IUPAC Name: trisodium 8-methyl-7-[(2E)-2-(5-oxidoperoxysulfanyl-6-oxo-3-sulfonatocyclohexa-2,4-dien-1-ylidene)hydrazinyl]quinoline-5-sulfonate Traditional Name: trisodium 7-[(N'E)-N'-[6-keto-5-(oxidoperoxythio)-3-sulfonato-cyclohexa-2,4-dien-1-ylidene]hydrazino]-8-methyl-quinoline-5-sulfonate Formula: C16H10N3Na3O10S3 MolecularWeight: 569.42901

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1NN=C3C=C(C=C(C3=O)SOO[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC=N2.[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=C2C(=C(C=C1N/N=C/3\C=C(C=C(C3=O)SOO[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC=N2.[Na+].[Na+].[Na+]

InChI

InChI=1S/C16H13N3O10S3.3Na/c1-8-11(7-14(32(25,26)27)10-3-2-4-17-15(8)10)18-19-12-5-9(31(22,23)24)6-13(16(12)20)30-29-28-21;;;/h2-7,18,21H,1H3,(H,22,23,24)(H,25,26,27);;;/q;3*+1/p-3/b19-12+;;;