[(E,4S)-1,1-dimethoxyundec-2-en-4-yl] benzoate

Systemtic Name: [(E,4S)-1,1-dimethoxyundec-2-en-4-yl] benzoate Openeye Name: [(1S)-1-[(E)-3,3-dimethoxyprop-1-enyl]octyl] benzoate CAS Name: benzoic acid [(E,4S)-1,1-dimethoxyundec-2-en-4-yl] ester IUPAC Name: [(E,4S)-1,1-dimethoxyundec-2-en-4-yl] benzoate Traditional Name: benzoic acid [(E,1S)-1-heptyl-4,4-dimethoxy-but-2-enyl] ester Formula: C20H30O4 MolecularWeight: 334.4498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C=CC(OC)OC)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCC[C@@H](/C=C/C(OC)OC)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C20H30O4/c1-4-5-6-7-11-14-18(15-16-19(22-2)23-3)24-20(21)17-12-9-8-10-13-17/h8-10,12-13,15-16,18-19H,4-7,11,14H2,1-3H3/b16-15+/t18-/m0/s1