[(2R,4S,6R)-1-chloranyl-9-methoxy-4,6-bis(oxidanyl)-9-oxidanylidene-nonan-2-yl] benzoate

Systemtic Name: [(2R,4S,6R)-1-chloranyl-9-methoxy-4,6-bis(oxidanyl)-9-oxidanylidene-nonan-2-yl] benzoate Openeye Name: [(1R,3S,5R)-1-(chloromethyl)-3,5-dihydroxy-8-methoxy-8-oxo-octyl] benzoate CAS Name: benzoic acid [(2R,4S,6R)-1-chloro-4,6-dihydroxy-9-methoxy-9-oxononan-2-yl] ester IUPAC Name: [(2R,4S,6R)-1-chloro-4,6-dihydroxy-9-methoxy-9-oxononan-2-yl] benzoate Traditional Name: benzoic acid [(1R,3S,5R)-1-(chloromethyl)-3,5-dihydroxy-8-keto-8-methoxy-octyl] ester Formula: C17H23ClO6 MolecularWeight: 358.81392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(CC(CC(CCl)OC(=O)C1=CC=CC=C1)O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClO6/c1-23-16(21)8-7-13(19)9-14(20)10-15(11-18)24-17(22)12-5-3-2-4-6-12/h2-6,13-15,19-20H,7-11H2,1H3/t13-,14+,15-/m1/s1