[(2S,3R,6S)-2-[(E)-5-methoxy-5-oxidanylidene-pent-3-enyl]-3-oxidanyl-3,6-dihydro-2H-pyran-6-yl] benzoate

Systemtic Name: [(2S,3R,6S)-2-[(E)-5-methoxy-5-oxidanylidene-pent-3-enyl]-3-oxidanyl-3,6-dihydro-2H-pyran-6-yl] benzoate Openeye Name: [(2S,3R,6S)-3-hydroxy-2-[(E)-5-methoxy-5-oxo-pent-3-enyl]-3,6-dihydro-2H-pyran-6-yl] benzoate CAS Name: benzoic acid [(2S,3R,6S)-3-hydroxy-2-[(E)-5-methoxy-5-oxopent-3-enyl]-3,6-dihydro-2H-pyran-6-yl] ester IUPAC Name: [(2S,3R,6S)-3-hydroxy-2-[(E)-5-methoxy-5-oxopent-3-enyl]-3,6-dihydro-2H-pyran-6-yl] benzoate Traditional Name: benzoic acid [(2S,3R,6S)-3-hydroxy-2-[(E)-5-keto-5-methoxy-pent-3-enyl]-3,6-dihydro-2H-pyran-6-yl] ester Formula: C18H20O6 MolecularWeight: 332.3478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCCC1C(C=CC(O1)OC(=O)C2=CC=CC=C2)O

Isomeric SMILES

COC(=O)/C=C/CC[C@H]1[C@@H](C=C[C@@H](O1)OC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C18H20O6/c1-22-16(20)10-6-5-9-15-14(19)11-12-17(23-15)24-18(21)13-7-3-2-4-8-13/h2-4,6-8,10-12,14-15,17,19H,5,9H2,1H3/b10-6+/t14-,15+,17+/m1/s1