[(3S)-2-methanoyl-4-methyl-pent-1-en-3-yl] benzoate

Systemtic Name: [(3S)-2-methanoyl-4-methyl-pent-1-en-3-yl] benzoate Openeye Name: [(1S)-2-formyl-1-isopropyl-allyl] benzoate CAS Name: benzoic acid [(3S)-2-formyl-4-methylpent-1-en-3-yl] ester IUPAC Name: [(3S)-2-formyl-4-methylpent-1-en-3-yl] benzoate Traditional Name: benzoic acid [(1S)-2-formyl-1-isopropyl-allyl] ester Formula: C14H16O3 MolecularWeight: 232.27504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O3/c1-10(2)13(11(3)9-15)17-14(16)12-7-5-4-6-8-12/h4-10,13H,3H2,1-2H3/t13-/m0/s1