[(E,2R,3R,4S)-7-methoxy-2,4-bis(oxidanyl)-7-oxidanylidene-3-phenylmethoxy-hept-5-enyl] benzoate

Systemtic Name: [(E,2R,3R,4S)-7-methoxy-2,4-bis(oxidanyl)-7-oxidanylidene-3-phenylmethoxy-hept-5-enyl] benzoate Openeye Name: [(E,2R,3R,4S)-3-benzyloxy-2,4-dihydroxy-7-methoxy-7-oxo-hept-5-enyl] benzoate CAS Name: benzoic acid [(E,2R,3R,4S)-2,4-dihydroxy-7-methoxy-7-oxo-3-phenylmethoxyhept-5-enyl] ester IUPAC Name: [(E,2R,3R,4S)-2,4-dihydroxy-7-methoxy-7-oxo-3-phenylmethoxyhept-5-enyl] benzoate Traditional Name: benzoic acid [(E,2R,3R,4S)-3-benzoxy-2,4-dihydroxy-7-keto-7-methoxy-hept-5-enyl] ester Formula: C22H24O7 MolecularWeight: 400.42176

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(C(C(COC(=O)C1=CC=CC=C1)O)OCC2=CC=CC=C2)O

Isomeric SMILES

COC(=O)/C=C/[C@@H]([C@H]([C@@H](COC(=O)C1=CC=CC=C1)O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C22H24O7/c1-27-20(25)13-12-18(23)21(28-14-16-8-4-2-5-9-16)19(24)15-29-22(26)17-10-6-3-7-11-17/h2-13,18-19,21,23-24H,14-15H2,1H3/b13-12+/t18-,19+,21+/m0/s1