[4-[14-(4-methoxyphenyl)heptacosan-14-yl]phenyl] ethanoate

Systemtic Name: [4-[14-(4-methoxyphenyl)heptacosan-14-yl]phenyl] ethanoate Openeye Name: [4-[1-(4-methoxyphenyl)-1-tridecyl-tetradecyl]phenyl] acetate CAS Name: acetic acid [4-[14-(4-methoxyphenyl)heptacosan-14-yl]phenyl] ester IUPAC Name: [4-[14-(4-methoxyphenyl)heptacosan-14-yl]phenyl] acetate Traditional Name: acetic acid [4-[1-(4-methoxyphenyl)-1-tridecyl-tetradecyl]phenyl] ester Formula: C42H68O3 MolecularWeight: 620.98752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCCCCCCCCCCCC)(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCC(CCCCCCCCCCCCC)(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC(=O)C

InChI

InChI=1S/C42H68O3/c1-5-7-9-11-13-15-17-19-21-23-25-35-42(38-27-31-40(44-4)32-28-38,39-29-33-41(34-30-39)45-37(3)43)36-26-24-22-20-18-16-14-12-10-8-6-2/h27-34H,5-26,35-36H2,1-4H3