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

Systemtic Name: [4-[(2S)-2-methylbutyl]phenyl] 4-(4-octylphenyl)benzoate Openeye Name: [4-[(2S)-2-methylbutyl]phenyl] 4-(4-octylphenyl)benzoate CAS Name: 4-(4-octylphenyl)benzoic acid [4-[(2S)-2-methylbutyl]phenyl] ester IUPAC Name: [4-[(2S)-2-methylbutyl]phenyl] 4-(4-octylphenyl)benzoate Traditional Name: 4-(4-octylphenyl)benzoic acid [4-[(2S)-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=C(C=C3)CC(C)CC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C[C@@H](C)CC

InChI

InChI=1S/C32H40O2/c1-4-6-7-8-9-10-11-26-12-16-28(17-13-26)29-18-20-30(21-19-29)32(33)34-31-22-14-27(15-23-31)24-25(3)5-2/h12-23,25H,4-11,24H2,1-3H3/t25-/m0/s1