[4-[4-(2-methylbutyl)phenyl]phenyl] 4-octadecylbenzoate

Systemtic Name: [4-[4-(2-methylbutyl)phenyl]phenyl] 4-octadecylbenzoate Openeye Name: [4-[4-(2-methylbutyl)phenyl]phenyl] 4-octadecylbenzoate CAS Name: 4-octadecylbenzoic acid [4-[4-(2-methylbutyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(2-methylbutyl)phenyl]phenyl] 4-octadecylbenzoate Traditional Name: 4-stearylbenzoic acid [4-[4-(2-methylbutyl)phenyl]phenyl] ester Formula: C42H60O2 MolecularWeight: 596.9246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)CC(C)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)CC(C)CC

InChI

InChI=1S/C42H60O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-36-22-28-40(29-23-36)42(43)44-41-32-30-39(31-33-41)38-26-24-37(25-27-38)34-35(3)5-2/h22-33,35H,4-21,34H2,1-3H3