[(E,4R,6R,7S)-1-methoxy-7,8-bis(oxidanyl)-1-oxidanylidene-6-phenylmethoxy-oct-2-en-4-yl] benzoate

Systemtic Name: [(E,4R,6R,7S)-1-methoxy-7,8-bis(oxidanyl)-1-oxidanylidene-6-phenylmethoxy-oct-2-en-4-yl] benzoate Openeye Name: [(1R,3R,4S)-3-benzyloxy-4,5-dihydroxy-1-[(E)-3-methoxy-3-oxo-prop-1-enyl]pentyl] benzoate CAS Name: benzoic acid [(E,4R,6R,7S)-7,8-dihydroxy-1-methoxy-1-oxo-6-phenylmethoxyoct-2-en-4-yl] ester IUPAC Name: [(E,4R,6R,7S)-7,8-dihydroxy-1-methoxy-1-oxo-6-phenylmethoxyoct-2-en-4-yl] benzoate Traditional Name: benzoic acid [(E,1R)-1-[(2R,3S)-2-benzoxy-3,4-dihydroxy-butyl]-4-keto-4-methoxy-but-2-enyl] ester Formula: C23H26O7 MolecularWeight: 414.44834

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(CC(C(CO)O)OCC1=CC=CC=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)/C=C/[C@@H](C[C@H]([C@H](CO)O)OCC1=CC=CC=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H26O7/c1-28-22(26)13-12-19(30-23(27)18-10-6-3-7-11-18)14-21(20(25)15-24)29-16-17-8-4-2-5-9-17/h2-13,19-21,24-25H,14-16H2,1H3/b13-12+/t19-,20-,21+/m0/s1