S-(4-diazo-3,6-dimethoxy-cyclohexa-1,5-dien-1-yl) 4-methylbenzenecarbothioate

Systemtic Name: S-(4-diazo-3,6-dimethoxy-cyclohexa-1,5-dien-1-yl) 4-methylbenzenecarbothioate Openeye Name: S-(4-diazo-3,6-dimethoxy-cyclohexa-1,5-dien-1-yl) 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid S-(4-diazo-3,6-dimethoxy-1-cyclohexa-1,5-dienyl) ester IUPAC Name: S-(4-diazo-3,6-dimethoxycyclohexa-1,5-dien-1-yl) 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid S-(4-diazo-3,6-dimethoxy-cyclohexa-1,5-dien-1-yl) ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SC2=CC(C(=[N+]=[N-])C=C2OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SC2=CC(C(=[N+]=[N-])C=C2OC)OC

InChI

InChI=1S/C16H16N2O3S/c1-10-4-6-11(7-5-10)16(19)22-15-9-13(20-2)12(18-17)8-14(15)21-3/h4-9,13H,1-3H3