[4-(4-heptylcyclohexyl)cyclohexyl] 4-butoxy-3-fluoranyl-benzoate

Systemtic Name: [4-(4-heptylcyclohexyl)cyclohexyl] 4-butoxy-3-fluoranyl-benzoate Openeye Name: [4-(4-heptylcyclohexyl)cyclohexyl] 4-butoxy-3-fluoro-benzoate CAS Name: 4-butoxy-3-fluorobenzoic acid [4-(4-heptylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-heptylcyclohexyl)cyclohexyl] 4-butoxy-3-fluorobenzoate Traditional Name: 4-butoxy-3-fluoro-benzoic acid [4-(4-heptylcyclohexyl)cyclohexyl] ester Formula: C30H47FO3 MolecularWeight: 474.690783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2CCC(CC2)OC(=O)C3=CC(=C(C=C3)OCCCC)F

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2CCC(CC2)OC(=O)C3=CC(=C(C=C3)OCCCC)F

InChI

InChI=1S/C30H47FO3/c1-3-5-7-8-9-10-23-11-13-24(14-12-23)25-15-18-27(19-16-25)34-30(32)26-17-20-29(28(31)22-26)33-21-6-4-2/h17,20,22-25,27H,3-16,18-19,21H2,1-2H3