[(E,2S,3S)-8-ethoxy-3,7-dimethyl-8-oxidanylidene-2-phenoxycarbothioyloxy-oct-6-enyl] benzoate

Systemtic Name: [(E,2S,3S)-8-ethoxy-3,7-dimethyl-8-oxidanylidene-2-phenoxycarbothioyloxy-oct-6-enyl] benzoate Openeye Name: [(E,2S,3S)-8-ethoxy-3,7-dimethyl-8-oxo-2-phenoxycarbothioyloxy-oct-6-enyl] benzoate CAS Name: benzoic acid [(E,2S,3S)-8-ethoxy-3,7-dimethyl-8-oxo-2-[phenoxy(sulfanylidene)methoxy]oct-6-enyl] ester IUPAC Name: [(E,2S,3S)-8-ethoxy-3,7-dimethyl-8-oxo-2-phenoxycarbothioyloxyoct-6-enyl] benzoate Traditional Name: benzoic acid [(E,2S,3S)-8-ethoxy-8-keto-3,7-dimethyl-2-phenoxycarbothioyloxy-oct-6-enyl] ester Formula: C26H30O6S MolecularWeight: 470.5778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CCCC(C)C(COC(=O)C1=CC=CC=C1)OC(=S)OC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)/C(=C/CC[C@H](C)[C@@H](COC(=O)C1=CC=CC=C1)OC(=S)OC2=CC=CC=C2)/C

InChI

InChI=1S/C26H30O6S/c1-4-29-24(27)20(3)13-11-12-19(2)23(18-30-25(28)21-14-7-5-8-15-21)32-26(33)31-22-16-9-6-10-17-22/h5-10,13-17,19,23H,4,11-12,18H2,1-3H3/b20-13+/t19-,23+/m0/s1