(Z)-3-(phenylcarbonyloxy)-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enoic acid

Systemtic Name: (Z)-3-(phenylcarbonyloxy)-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enoic acid Openeye Name: (Z)-3-benzoyloxy-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enoic acid CAS Name: (Z)-3-benzoyloxy-5-(2,6,6-trimethyl-1-cyclohexenyl)-2-pentenoic acid IUPAC Name: (Z)-3-benzoyloxy-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enoic acid Traditional Name: (Z)-3-benzoyloxy-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enoic acid Formula: C21H26O4 MolecularWeight: 342.42874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)CCC(=CC(=O)O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(CCC1)(C)C)CC/C(=C/C(=O)O)/OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H26O4/c1-15-8-7-13-21(2,3)18(15)12-11-17(14-19(22)23)25-20(24)16-9-5-4-6-10-16/h4-6,9-10,14H,7-8,11-13H2,1-3H3,(H,22,23)/b17-14-