[2,6-bis(bromanyl)-4-(4-pentylcyclohexyl)phenyl] 4-heptoxybenzoate

Systemtic Name: [2,6-bis(bromanyl)-4-(4-pentylcyclohexyl)phenyl] 4-heptoxybenzoate Openeye Name: [2,6-dibromo-4-(4-pentylcyclohexyl)phenyl] 4-heptoxybenzoate CAS Name: 4-heptoxybenzoic acid [2,6-dibromo-4-(4-pentylcyclohexyl)phenyl] ester IUPAC Name: [2,6-dibromo-4-(4-pentylcyclohexyl)phenyl] 4-heptoxybenzoate Traditional Name: 4-heptoxybenzoic acid [4-(4-amylcyclohexyl)-2,6-dibromo-phenyl] ester Formula: C31H42Br2O3 MolecularWeight: 622.47138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Br)C3CCC(CC3)CCCCC)Br

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Br)C3CCC(CC3)CCCCC)Br

InChI

InChI=1S/C31H42Br2O3/c1-3-5-7-8-10-20-35-27-18-16-25(17-19-27)31(34)36-30-28(32)21-26(22-29(30)33)24-14-12-23(13-15-24)11-9-6-4-2/h16-19,21-24H,3-15,20H2,1-2H3