(6-diazo-3-phenylsulfanyl-cyclohexa-1,3-dien-1-yl)phosphonic acid

Systemtic Name: (6-diazo-3-phenylsulfanyl-cyclohexa-1,3-dien-1-yl)phosphonic acid Openeye Name: (6-diazo-3-phenylsulfanyl-cyclohexa-1,3-dien-1-yl)phosphonic acid CAS Name: [6-diazo-3-(phenylthio)-1-cyclohexa-1,3-dienyl]phosphonic acid IUPAC Name: (6-diazo-3-phenylsulfanylcyclohexa-1,3-dien-1-yl)phosphonic acid Traditional Name: [6-diazo-3-(phenylthio)cyclohexa-1,3-dien-1-yl]phosphonic acid Formula: C12H11N2O3PS MolecularWeight: 294.266101

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=C(C1=[N+]=[N-])P(=O)(O)O)SC2=CC=CC=C2

Isomeric SMILES

C1C=C(C=C(C1=[N+]=[N-])P(=O)(O)O)SC2=CC=CC=C2

InChI

InChI=1S/C12H11N2O3PS/c13-14-11-7-6-10(8-12(11)18(15,16)17)19-9-4-2-1-3-5-9/h1-6,8H,7H2,(H2,15,16,17)