[(5S)-6-methyl-5-oxidanyl-hept-3-ynyl] benzoate

Systemtic Name: [(5S)-6-methyl-5-oxidanyl-hept-3-ynyl] benzoate Openeye Name: [(5S)-5-hydroxy-6-methyl-hept-3-ynyl] benzoate CAS Name: benzoic acid [(5S)-5-hydroxy-6-methylhept-3-ynyl] ester IUPAC Name: [(5S)-5-hydroxy-6-methylhept-3-ynyl] benzoate Traditional Name: benzoic acid [(5S)-5-hydroxy-6-methyl-hept-3-ynyl] ester Formula: C15H18O3 MolecularWeight: 246.30162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#CCCOC(=O)C1=CC=CC=C1)O

Isomeric SMILES

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

InChI

InChI=1S/C15H18O3/c1-12(2)14(16)10-6-7-11-18-15(17)13-8-4-3-5-9-13/h3-5,8-9,12,14,16H,7,11H2,1-2H3/t14-/m1/s1