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

Systemtic Name: [(2R,4R)-1-chloranyl-9-methoxy-4-oxidanyl-6,9-bis(oxidanylidene)nonan-2-yl] benzoate Openeye Name: [(1R,3R)-1-(chloromethyl)-3-hydroxy-8-methoxy-5,8-dioxo-octyl] benzoate CAS Name: benzoic acid [(2R,4R)-1-chloro-4-hydroxy-9-methoxy-6,9-dioxononan-2-yl] ester IUPAC Name: [(2R,4R)-1-chloro-4-hydroxy-9-methoxy-6,9-dioxononan-2-yl] benzoate Traditional Name: benzoic acid [(1R,3R)-1-(chloromethyl)-3-hydroxy-5,8-diketo-8-methoxy-octyl] ester Formula: C17H21ClO6 MolecularWeight: 356.79804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClO6/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/h2-6,14-15,20H,7-11H2,1H3/t14-,15+/m0/s1