[4-[4-(3-methylpentyl)phenyl]phenyl] 4-octadecylbenzoate

Systemtic Name: [4-[4-(3-methylpentyl)phenyl]phenyl] 4-octadecylbenzoate Openeye Name: [4-[4-(3-methylpentyl)phenyl]phenyl] 4-octadecylbenzoate CAS Name: 4-octadecylbenzoic acid [4-[4-(3-methylpentyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(3-methylpentyl)phenyl]phenyl] 4-octadecylbenzoate Traditional Name: 4-stearylbenzoic acid [4-[4-(3-methylpentyl)phenyl]phenyl] ester Formula: C43H62O2 MolecularWeight: 610.95118

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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)CCC(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C43H62O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-37-26-30-41(31-27-37)43(44)45-42-34-32-40(33-35-42)39-28-24-38(25-29-39)23-22-36(3)5-2/h24-36H,4-23H2,1-3H3