[(4S,6S,8R,10R)-6-methoxy-8-methyl-10,11-bis(oxidanyl)undecan-4-yl] benzoate

Systemtic Name: [(4S,6S,8R,10R)-6-methoxy-8-methyl-10,11-bis(oxidanyl)undecan-4-yl] benzoate Openeye Name: [(1S,3S,5R,7R)-7,8-dihydroxy-3-methoxy-5-methyl-1-propyl-octyl] benzoate CAS Name: benzoic acid [(4S,6S,8R,10R)-10,11-dihydroxy-6-methoxy-8-methylundecan-4-yl] ester IUPAC Name: [(4S,6S,8R,10R)-10,11-dihydroxy-6-methoxy-8-methylundecan-4-yl] benzoate Traditional Name: benzoic acid [(1S,3S,5R,7R)-7,8-dihydroxy-3-methoxy-5-methyl-1-propyl-octyl] ester Formula: C20H32O5 MolecularWeight: 352.46508

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(CC(C)CC(CO)O)OC)OC(=O)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C20H32O5/c1-4-8-18(25-20(23)16-9-6-5-7-10-16)13-19(24-3)12-15(2)11-17(22)14-21/h5-7,9-10,15,17-19,21-22H,4,8,11-14H2,1-3H3/t15-,17-,18+,19+/m1/s1