[(2S,3R)-2-ethyl-6-oxidanylidene-3-(phenylcarbonyloxy)heptyl] benzoate

Systemtic Name: [(2S,3R)-2-ethyl-6-oxidanylidene-3-(phenylcarbonyloxy)heptyl] benzoate Openeye Name: [(2S,3R)-3-benzoyloxy-2-ethyl-6-oxo-heptyl] benzoate CAS Name: benzoic acid [(2S,3R)-3-benzoyloxy-2-ethyl-6-oxoheptyl] ester IUPAC Name: [(2S,3R)-3-benzoyloxy-2-ethyl-6-oxoheptyl] benzoate Traditional Name: benzoic acid [(2S,3R)-3-benzoyloxy-2-ethyl-6-keto-heptyl] ester Formula: C23H26O5 MolecularWeight: 382.44954

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C1=CC=CC=C1)C(CCC(=O)C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC[C@@H](COC(=O)C1=CC=CC=C1)[C@@H](CCC(=O)C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H26O5/c1-3-18(16-27-22(25)19-10-6-4-7-11-19)21(15-14-17(2)24)28-23(26)20-12-8-5-9-13-20/h4-13,18,21H,3,14-16H2,1-2H3/t18-,21+/m0/s1