2-[(E)-7-methoxy-7-oxidanylidene-hept-2-enyl]-3-(phenylcarbonyloxy)cyclopentane-1-carboxylic acid

Systemtic Name: 2-[(E)-7-methoxy-7-oxidanylidene-hept-2-enyl]-3-(phenylcarbonyloxy)cyclopentane-1-carboxylic acid Openeye Name: 3-benzoyloxy-2-[(E)-7-methoxy-7-oxo-hept-2-enyl]cyclopentanecarboxylic acid CAS Name: 3-benzoyloxy-2-[(E)-7-methoxy-7-oxohept-2-enyl]-1-cyclopentanecarboxylic acid IUPAC Name: 3-benzoyloxy-2-[(E)-7-methoxy-7-oxohept-2-enyl]cyclopentane-1-carboxylic acid Traditional Name: 3-benzoyloxy-2-[(E)-7-keto-7-methoxy-hept-2-enyl]cyclopentanecarboxylic acid Formula: C21H26O6 MolecularWeight: 374.42754

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=CCC1C(CCC1OC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC(=O)CCC/C=C/CC1C(CCC1OC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H26O6/c1-26-19(22)12-8-3-2-7-11-16-17(20(23)24)13-14-18(16)27-21(25)15-9-5-4-6-10-15/h2,4-7,9-10,16-18H,3,8,11-14H2,1H3,(H,23,24)/b7-2+