[2,6-bis(bromanyl)-4-(4-pentylcyclohexyl)phenyl] 3-methylbenzoate

Systemtic Name: [2,6-bis(bromanyl)-4-(4-pentylcyclohexyl)phenyl] 3-methylbenzoate Openeye Name: [2,6-dibromo-4-(4-pentylcyclohexyl)phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2,6-dibromo-4-(4-pentylcyclohexyl)phenyl] ester IUPAC Name: [2,6-dibromo-4-(4-pentylcyclohexyl)phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-(4-amylcyclohexyl)-2,6-dibromo-phenyl] ester Formula: C25H30Br2O2 MolecularWeight: 522.3125

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC(=C(C(=C2)Br)OC(=O)C3=CC(=CC=C3)C)Br

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC(=C(C(=C2)Br)OC(=O)C3=CC(=CC=C3)C)Br

InChI

InChI=1S/C25H30Br2O2/c1-3-4-5-8-18-10-12-19(13-11-18)21-15-22(26)24(23(27)16-21)29-25(28)20-9-6-7-17(2)14-20/h6-7,9,14-16,18-19H,3-5,8,10-13H2,1-2H3