[2-[(2R)-2-methylbutyl]phenyl] 4-(4-octylphenyl)benzoate

Systemtic Name: [2-[(2R)-2-methylbutyl]phenyl] 4-(4-octylphenyl)benzoate Openeye Name: [2-[(2R)-2-methylbutyl]phenyl] 4-(4-octylphenyl)benzoate CAS Name: 4-(4-octylphenyl)benzoic acid [2-[(2R)-2-methylbutyl]phenyl] ester IUPAC Name: [2-[(2R)-2-methylbutyl]phenyl] 4-(4-octylphenyl)benzoate Traditional Name: 4-(4-octylphenyl)benzoic acid [2-[(2R)-2-methylbutyl]phenyl] ester Formula: C32H40O2 MolecularWeight: 456.6588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3CC(C)CC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3C[C@H](C)CC

InChI

InChI=1S/C32H40O2/c1-4-6-7-8-9-10-13-26-16-18-27(19-17-26)28-20-22-29(23-21-28)32(33)34-31-15-12-11-14-30(31)24-25(3)5-2/h11-12,14-23,25H,4-10,13,24H2,1-3H3/t25-/m1/s1