[4-butoxy-2,3-bis(fluoranyl)phenyl] 4-(4-heptylcyclohexyl)cyclohexane-1-carboxylate

Systemtic Name: [4-butoxy-2,3-bis(fluoranyl)phenyl] 4-(4-heptylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: (4-butoxy-2,3-difluoro-phenyl) 4-(4-heptylcyclohexyl)cyclohexanecarboxylate CAS Name: 4-(4-heptylcyclohexyl)-1-cyclohexanecarboxylic acid (4-butoxy-2,3-difluorophenyl) ester IUPAC Name: (4-butoxy-2,3-difluorophenyl) 4-(4-heptylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-heptylcyclohexyl)cyclohexanecarboxylic acid (4-butoxy-2,3-difluoro-phenyl) ester Formula: C30H46F2O3 MolecularWeight: 492.681246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)OCCCC)F)F

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)OCCCC)F)F

InChI

InChI=1S/C30H46F2O3/c1-3-5-7-8-9-10-22-11-13-23(14-12-22)24-15-17-25(18-16-24)30(33)35-27-20-19-26(28(31)29(27)32)34-21-6-4-2/h19-20,22-25H,3-18,21H2,1-2H3