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

Systemtic Name: [4-[(2S)-2-methylbutyl]phenyl] 4-(4-heptylphenyl)benzoate Openeye Name: [4-[(2S)-2-methylbutyl]phenyl] 4-(4-heptylphenyl)benzoate CAS Name: 4-(4-heptylphenyl)benzoic acid [4-[(2S)-2-methylbutyl]phenyl] ester IUPAC Name: [4-[(2S)-2-methylbutyl]phenyl] 4-(4-heptylphenyl)benzoate Traditional Name: 4-(4-heptylphenyl)benzoic acid [4-[(2S)-2-methylbutyl]phenyl] ester Formula: C31H38O2 MolecularWeight: 442.63222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CC(C)CC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C[C@@H](C)CC

InChI

InChI=1S/C31H38O2/c1-4-6-7-8-9-10-25-11-15-27(16-12-25)28-17-19-29(20-18-28)31(32)33-30-21-13-26(14-22-30)23-24(3)5-2/h11-22,24H,4-10,23H2,1-3H3/t24-/m0/s1