methyl 2-[(E,4S)-4,5-bis(oxidanyl)pent-1-enyl]benzoate

Systemtic Name: methyl 2-[(E,4S)-4,5-bis(oxidanyl)pent-1-enyl]benzoate Openeye Name: methyl 2-[(E,4S)-4,5-dihydroxypent-1-enyl]benzoate CAS Name: 2-[(E,4S)-4,5-dihydroxypent-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(E,4S)-4,5-dihydroxypent-1-enyl]benzoate Traditional Name: 2-[(E,4S)-4,5-dihydroxypent-1-enyl]benzoic acid methyl ester Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C=CCC(CO)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1/C=C/C[C@@H](CO)O

InChI

InChI=1S/C13H16O4/c1-17-13(16)12-8-3-2-5-10(12)6-4-7-11(15)9-14/h2-6,8,11,14-15H,7,9H2,1H3/b6-4+/t11-/m0/s1