[(3S)-3-oxidanyl-5-oxidanylidene-7-prop-2-ynyl-dec-9-ynyl] benzoate

Systemtic Name: [(3S)-3-oxidanyl-5-oxidanylidene-7-prop-2-ynyl-dec-9-ynyl] benzoate Openeye Name: [(3S)-3-hydroxy-5-oxo-7-prop-2-ynyl-dec-9-ynyl] benzoate CAS Name: benzoic acid [(3S)-3-hydroxy-5-oxo-7-prop-2-ynyldec-9-ynyl] ester IUPAC Name: [(3S)-3-hydroxy-5-oxo-7-prop-2-ynyldec-9-ynyl] benzoate Traditional Name: benzoic acid [(3S)-3-hydroxy-5-keto-7-propargyl-dec-9-ynyl] ester Formula: C20H22O4 MolecularWeight: 326.38628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22O4/c1-3-8-16(9-4-2)14-19(22)15-18(21)12-13-24-20(23)17-10-6-5-7-11-17/h1-2,5-7,10-11,16,18,21H,8-9,12-15H2/t18-/m0/s1