[4-(4-pentylcyclohexyl)cyclohexyl] 3-bromanyl-4-hexoxy-benzoate

Systemtic Name: [4-(4-pentylcyclohexyl)cyclohexyl] 3-bromanyl-4-hexoxy-benzoate Openeye Name: [4-(4-pentylcyclohexyl)cyclohexyl] 3-bromo-4-hexoxy-benzoate CAS Name: 3-bromo-4-hexoxybenzoic acid [4-(4-pentylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-pentylcyclohexyl)cyclohexyl] 3-bromo-4-hexoxybenzoate Traditional Name: 3-bromo-4-hexoxy-benzoic acid [4-(4-amylcyclohexyl)cyclohexyl] ester Formula: C30H47BrO3 MolecularWeight: 535.59638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2CCC(CC2)C3CCC(CC3)CCCCC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2CCC(CC2)C3CCC(CC3)CCCCC)Br

InChI

InChI=1S/C30H47BrO3/c1-3-5-7-9-21-33-29-20-17-26(22-28(29)31)30(32)34-27-18-15-25(16-19-27)24-13-11-23(12-14-24)10-8-6-4-2/h17,20,22-25,27H,3-16,18-19,21H2,1-2H3