[(2S,4S)-2,4-bis(oxidanyl)hept-6-enyl] benzoate

Systemtic Name: [(2S,4S)-2,4-bis(oxidanyl)hept-6-enyl] benzoate Openeye Name: [(2S,4S)-2,4-dihydroxyhept-6-enyl] benzoate CAS Name: benzoic acid [(2S,4S)-2,4-dihydroxyhept-6-enyl] ester IUPAC Name: [(2S,4S)-2,4-dihydroxyhept-6-enyl] benzoate Traditional Name: benzoic acid [(2S,4S)-2,4-dihydroxyhept-6-enyl] ester Formula: C14H18O4 MolecularWeight: 250.29032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC(COC(=O)C1=CC=CC=C1)O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H18O4/c1-2-6-12(15)9-13(16)10-18-14(17)11-7-4-3-5-8-11/h2-5,7-8,12-13,15-16H,1,6,9-10H2/t12-,13-/m0/s1