[(1R)-1-[(1S,6R)-6-methanoyl-6-oxidanyl-cyclohex-3-en-1-yl]prop-2-enyl] benzoate

Systemtic Name: [(1R)-1-[(1S,6R)-6-methanoyl-6-oxidanyl-cyclohex-3-en-1-yl]prop-2-enyl] benzoate Openeye Name: [(1R)-1-[(1S,6R)-6-formyl-6-hydroxy-cyclohex-3-en-1-yl]allyl] benzoate CAS Name: benzoic acid [(1R)-1-[(1S,6R)-6-formyl-6-hydroxy-1-cyclohex-3-enyl]prop-2-enyl] ester IUPAC Name: [(1R)-1-[(1S,6R)-6-formyl-6-hydroxycyclohex-3-en-1-yl]prop-2-enyl] benzoate Traditional Name: benzoic acid [(1R)-1-[(1S,6R)-6-formyl-6-hydroxy-cyclohex-3-en-1-yl]allyl] ester Formula: C17H18O4 MolecularWeight: 286.32242

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C1CC=CCC1(C=O)O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H18O4/c1-2-15(14-10-6-7-11-17(14,20)12-18)21-16(19)13-8-4-3-5-9-13/h2-9,12,14-15,20H,1,10-11H2/t14-,15+,17-/m0/s1