[(1S,6S,7R)-6,7-bis(oxidanyl)-1-phenyl-non-8-enyl] propanoate

Systemtic Name: [(1S,6S,7R)-6,7-bis(oxidanyl)-1-phenyl-non-8-enyl] propanoate Openeye Name: [(1S,6S,7R)-6,7-dihydroxy-1-phenyl-non-8-enyl] propanoate CAS Name: propanoic acid [(1S,6S,7R)-6,7-dihydroxy-1-phenylnon-8-enyl] ester IUPAC Name: [(1S,6S,7R)-6,7-dihydroxy-1-phenylnon-8-enyl] propanoate Traditional Name: propionic acid [(1S,6S,7R)-6,7-dihydroxy-1-phenyl-non-8-enyl] ester Formula: C18H26O4 MolecularWeight: 306.39664

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(CCCCC(C(C=C)O)O)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C18H26O4/c1-3-15(19)16(20)12-8-9-13-17(22-18(21)4-2)14-10-6-5-7-11-14/h3,5-7,10-11,15-17,19-20H,1,4,8-9,12-13H2,2H3/t15-,16+,17+/m1/s1