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

Systemtic Name: (Z)-3-(2-methylpropanoyloxy)-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enoic acid Openeye Name: (Z)-3-(2-methylpropanoyloxy)-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enoic acid CAS Name: (Z)-3-(2-methyl-1-oxopropoxy)-5-(2,6,6-trimethyl-1-cyclohexenyl)-2-pentenoic acid IUPAC Name: (Z)-3-(2-methylpropanoyloxy)-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enoic acid Traditional Name: (Z)-3-isobutyryloxy-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enoic acid Formula: C18H28O4 MolecularWeight: 308.41252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28O4/c1-12(2)17(21)22-14(11-16(19)20)8-9-15-13(3)7-6-10-18(15,4)5/h11-12H,6-10H2,1-5H3,(H,19,20)/b14-11-