[4-[4-(4-methylhexyl)phenyl]phenyl] 4-octadecylbenzoate

Systemtic Name: [4-[4-(4-methylhexyl)phenyl]phenyl] 4-octadecylbenzoate Openeye Name: [4-[4-(4-methylhexyl)phenyl]phenyl] 4-octadecylbenzoate CAS Name: 4-octadecylbenzoic acid [4-[4-(4-methylhexyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(4-methylhexyl)phenyl]phenyl] 4-octadecylbenzoate Traditional Name: 4-stearylbenzoic acid [4-[4-(4-methylhexyl)phenyl]phenyl] ester Formula: C44H64O2 MolecularWeight: 624.97776

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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)CCCC(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C44H64O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-38-27-31-42(32-28-38)44(45)46-43-35-33-41(34-36-43)40-29-25-39(26-30-40)24-21-22-37(3)5-2/h25-37H,4-24H2,1-3H3