(E)-4-[4-(4-pentylcyclohexyl)cyclohexyl]but-2-enoate

Systemtic Name: (E)-4-[4-(4-pentylcyclohexyl)cyclohexyl]but-2-enoate Openeye Name: (E)-4-[4-(4-pentylcyclohexyl)cyclohexyl]but-2-enoate CAS Name: (E)-4-[4-(4-pentylcyclohexyl)cyclohexyl]-2-butenoate IUPAC Name: (E)-4-[4-(4-pentylcyclohexyl)cyclohexyl]but-2-enoate Traditional Name: (E)-4-[4-(4-amylcyclohexyl)cyclohexyl]but-2-enoate Formula: C21H35O2- MolecularWeight: 319.5014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2CCC(CC2)CC=CC(=O)[O-]

Isomeric SMILES

CCCCCC1CCC(CC1)C2CCC(CC2)C/C=C/C(=O)[O-]

InChI

InChI=1S/C21H36O2/c1-2-3-4-6-17-9-13-19(14-10-17)20-15-11-18(12-16-20)7-5-8-21(22)23/h5,8,17-20H,2-4,6-7,9-16H2,1H3,(H,22,23)/p-1/b8-5+