[(E,6S)-9-ethoxy-6,8-dimethyl-9-oxidanylidene-non-7-en-1-yn-3-yl] benzoate

Systemtic Name: [(E,6S)-9-ethoxy-6,8-dimethyl-9-oxidanylidene-non-7-en-1-yn-3-yl] benzoate Openeye Name: [(E,4S)-7-ethoxy-1-ethynyl-4,6-dimethyl-7-oxo-hept-5-enyl] benzoate CAS Name: benzoic acid [(E,6S)-9-ethoxy-6,8-dimethyl-9-oxonon-7-en-1-yn-3-yl] ester IUPAC Name: [(E,6S)-9-ethoxy-6,8-dimethyl-9-oxonon-7-en-1-yn-3-yl] benzoate Traditional Name: benzoic acid [(E,4S)-7-ethoxy-1-ethynyl-7-keto-4,6-dimethyl-hept-5-enyl] ester Formula: C20H24O4 MolecularWeight: 328.40216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC(C)CCC(C#C)OC(=O)C1=CC=CC=C1)C

Isomeric SMILES

CCOC(=O)/C(=C/[C@@H](C)CCC(C#C)OC(=O)C1=CC=CC=C1)/C

InChI

InChI=1S/C20H24O4/c1-5-18(24-20(22)17-10-8-7-9-11-17)13-12-15(3)14-16(4)19(21)23-6-2/h1,7-11,14-15,18H,6,12-13H2,2-4H3/b16-14+/t15-,18?/m0/s1