[(3S,5R)-5,6-bis(oxidanyl)-1-phenyl-hexan-3-yl] benzoate

Systemtic Name: [(3S,5R)-5,6-bis(oxidanyl)-1-phenyl-hexan-3-yl] benzoate Openeye Name: [(1S,3R)-3,4-dihydroxy-1-phenethyl-butyl] benzoate CAS Name: benzoic acid [(3S,5R)-5,6-dihydroxy-1-phenylhexan-3-yl] ester IUPAC Name: [(3S,5R)-5,6-dihydroxy-1-phenylhexan-3-yl] benzoate Traditional Name: benzoic acid [(1S,3R)-3,4-dihydroxy-1-phenethyl-butyl] ester Formula: C19H22O4 MolecularWeight: 314.37558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(CC(CO)O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CC[C@@H](C[C@H](CO)O)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H22O4/c20-14-17(21)13-18(12-11-15-7-3-1-4-8-15)23-19(22)16-9-5-2-6-10-16/h1-10,17-18,20-21H,11-14H2/t17-,18+/m1/s1