8-methyl-7-[(2E)-2-[6-oxidanylidene-3-sulfo-5-(trioxidanylsulfanyl)cyclohexa-2,4-dien-1-ylidene]hydrazinyl]quinoline-5-sulfonic acid

Systemtic Name: 8-methyl-7-[(2E)-2-[6-oxidanylidene-3-sulfo-5-(trioxidanylsulfanyl)cyclohexa-2,4-dien-1-ylidene]hydrazinyl]quinoline-5-sulfonic acid Openeye Name: 8-methyl-7-[(2E)-2-[6-oxo-3-sulfo-5-(trioxidanylsulfanyl)cyclohexa-2,4-dien-1-ylidene]hydrazino]quinoline-5-sulfonic acid CAS Name: 8-methyl-7-[(2E)-2-[6-oxo-3-sulfo-5-(trioxidanylthio)-1-cyclohexa-2,4-dienylidene]hydrazinyl]-5-quinolinesulfonic acid IUPAC Name: 8-methyl-7-[(2E)-2-[6-oxo-3-sulfo-5-(trioxidanylsulfanyl)cyclohexa-2,4-dien-1-ylidene]hydrazinyl]quinoline-5-sulfonic acid Traditional Name: 7-[(N'E)-N'-[6-keto-3-sulfo-5-(trioxidanylthio)cyclohexa-2,4-dien-1-ylidene]hydrazino]-8-methyl-quinoline-5-sulfonic acid Formula: C16H13N3O10S3 MolecularWeight: 503.48352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1NN=C3C=C(C=C(C3=O)SOOO)S(=O)(=O)O)S(=O)(=O)O)C=CC=N2

Isomeric SMILES

CC1=C2C(=C(C=C1N/N=C/3\C=C(C=C(C3=O)SOOO)S(=O)(=O)O)S(=O)(=O)O)C=CC=N2

InChI

InChI=1S/C16H13N3O10S3/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)/b19-12+