[(Z,5R,7S,8S)-5-acetyloxy-9-methoxy-7,8-bis(oxidanyl)-9-oxidanylidene-non-3-enyl] benzoate

Systemtic Name: [(Z,5R,7S,8S)-5-acetyloxy-9-methoxy-7,8-bis(oxidanyl)-9-oxidanylidene-non-3-enyl] benzoate Openeye Name: [(Z,5R,7S,8S)-5-acetoxy-7,8-dihydroxy-9-methoxy-9-oxo-non-3-enyl] benzoate CAS Name: benzoic acid [(Z,5R,7S,8S)-5-acetyloxy-7,8-dihydroxy-9-methoxy-9-oxonon-3-enyl] ester IUPAC Name: [(Z,5R,7S,8S)-5-acetyloxy-7,8-dihydroxy-9-methoxy-9-oxonon-3-enyl] benzoate Traditional Name: benzoic acid [(Z,5R,7S,8S)-5-acetoxy-7,8-dihydroxy-9-keto-9-methoxy-non-3-enyl] ester Formula: C19H24O8 MolecularWeight: 380.38906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC(C(C(=O)OC)O)O)C=CCCOC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(=O)O[C@H](C[C@@H]([C@@H](C(=O)OC)O)O)/C=C\CCOC(=O)C1=CC=CC=C1

InChI

InChI=1S/C19H24O8/c1-13(20)27-15(12-16(21)17(22)19(24)25-2)10-6-7-11-26-18(23)14-8-4-3-5-9-14/h3-6,8-10,15-17,21-22H,7,11-12H2,1-2H3/b10-6-/t15-,16-,17-/m0/s1