[(2S,3R)-6-(1,3-dithian-2-ylidene)-2-ethyl-3-(phenylcarbonyloxy)heptyl] benzoate

Systemtic Name: [(2S,3R)-6-(1,3-dithian-2-ylidene)-2-ethyl-3-(phenylcarbonyloxy)heptyl] benzoate Openeye Name: [(2S,3R)-3-benzoyloxy-6-(1,3-dithian-2-ylidene)-2-ethyl-heptyl] benzoate CAS Name: benzoic acid [(2S,3R)-3-benzoyloxy-6-(1,3-dithian-2-ylidene)-2-ethylheptyl] ester IUPAC Name: [(2S,3R)-3-benzoyloxy-6-(1,3-dithian-2-ylidene)-2-ethylheptyl] benzoate Traditional Name: benzoic acid [(2S,3R)-3-benzoyloxy-6-(1,3-dithian-2-ylidene)-2-ethyl-heptyl] ester Formula: C27H32O4S2 MolecularWeight: 484.67058

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C1=CC=CC=C1)C(CCC(=C2SCCCS2)C)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC[C@@H](COC(=O)C1=CC=CC=C1)[C@@H](CCC(=C2SCCCS2)C)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H32O4S2/c1-3-21(19-30-25(28)22-11-6-4-7-12-22)24(31-26(29)23-13-8-5-9-14-23)16-15-20(2)27-32-17-10-18-33-27/h4-9,11-14,21,24H,3,10,15-19H2,1-2H3/t21-,24+/m0/s1