[(6S)-6-methyl-7-oxidanylidene-hept-1-yn-3-yl] benzoate

Systemtic Name: [(6S)-6-methyl-7-oxidanylidene-hept-1-yn-3-yl] benzoate Openeye Name: [(4S)-1-ethynyl-4-methyl-5-oxo-pentyl] benzoate CAS Name: benzoic acid [(6S)-6-methyl-7-oxohept-1-yn-3-yl] ester IUPAC Name: [(6S)-6-methyl-7-oxohept-1-yn-3-yl] benzoate Traditional Name: benzoic acid 1-[(3S)-4-keto-3-methyl-butyl]prop-2-ynyl ester Formula: C15H16O3 MolecularWeight: 244.28574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16O3/c1-3-14(10-9-12(2)11-16)18-15(17)13-7-5-4-6-8-13/h1,4-8,11-12,14H,9-10H2,2H3/t12-,14?/m0/s1