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

Systemtic Name: [2,6-bis(bromanyl)-4-(4-pentylcyclohexyl)phenyl] 4-heptylbenzoate Openeye Name: [2,6-dibromo-4-(4-pentylcyclohexyl)phenyl] 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid [2,6-dibromo-4-(4-pentylcyclohexyl)phenyl] ester IUPAC Name: [2,6-dibromo-4-(4-pentylcyclohexyl)phenyl] 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid [4-(4-amylcyclohexyl)-2,6-dibromo-phenyl] ester Formula: C31H42Br2O2 MolecularWeight: 606.47198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Br)C3CCC(CC3)CCCCC)Br

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Br)C3CCC(CC3)CCCCC)Br

InChI

InChI=1S/C31H42Br2O2/c1-3-5-7-8-10-12-24-15-19-26(20-16-24)31(34)35-30-28(32)21-27(22-29(30)33)25-17-13-23(14-18-25)11-9-6-4-2/h15-16,19-23,25H,3-14,17-18H2,1-2H3