4-[[(2E)-2-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]diazenyl]benzene-1,2-disulfonic acid

Systemtic Name: 4-[[(2E)-2-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]diazenyl]benzene-1,2-disulfonic acid Openeye Name: 4-[(2E)-2-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]azobenzene-1,2-disulfonic acid CAS Name: 4-[(2E)-2-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]azobenzene-1,2-disulfonic acid IUPAC Name: 4-[[(2E)-2-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]diazenyl]benzene-1,2-disulfonic acid Traditional Name: 4-[(N'E)-N'-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)hydrazino]azobenzene-1,2-disulfonic acid Formula: C13H12N4O8S2 MolecularWeight: 416.38638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NNN=NC2=CC(=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)C=CC1=O

Isomeric SMILES

COC1=C/C(=N/NN=NC2=CC(=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)/C=CC1=O

InChI

InChI=1S/C13H12N4O8S2/c1-25-11-6-8(2-4-10(11)18)14-16-17-15-9-3-5-12(26(19,20)21)13(7-9)27(22,23)24/h2-7H,1H3,(H,15,16)(H,19,20,21)(H,22,23,24)/b14-8+