S-[1-methoxy-4-[4-(2-methoxy-3,3-dimethyl-oxiran-2-yl)phenyl]cyclohexa-2,5-dien-1-yl] benzenecarbothioate

Systemtic Name: S-[1-methoxy-4-[4-(2-methoxy-3,3-dimethyl-oxiran-2-yl)phenyl]cyclohexa-2,5-dien-1-yl] benzenecarbothioate Openeye Name: S-[1-methoxy-4-[4-(2-methoxy-3,3-dimethyl-oxiran-2-yl)phenyl]cyclohexa-2,5-dien-1-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[1-methoxy-4-[4-(2-methoxy-3,3-dimethyl-2-oxiranyl)phenyl]-1-cyclohexa-2,5-dienyl] ester IUPAC Name: S-[1-methoxy-4-[4-(2-methoxy-3,3-dimethyloxiran-2-yl)phenyl]cyclohexa-2,5-dien-1-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[1-methoxy-4-[4-(2-methoxy-3,3-dimethyl-oxiran-2-yl)phenyl]cyclohexa-2,5-dien-1-yl] ester Formula: C25H26O4S MolecularWeight: 422.53654

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(O1)(C2=CC=C(C=C2)C3C=CC(C=C3)(OC)SC(=O)C4=CC=CC=C4)OC)C

Isomeric SMILES

CC1(C(O1)(C2=CC=C(C=C2)C3C=CC(C=C3)(OC)SC(=O)C4=CC=CC=C4)OC)C

InChI

InChI=1S/C25H26O4S/c1-23(2)25(28-4,29-23)21-12-10-18(11-13-21)19-14-16-24(27-3,17-15-19)30-22(26)20-8-6-5-7-9-20/h5-17,19H,1-4H3