(2-pentan-2-yloxyphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate

Systemtic Name: (2-pentan-2-yloxyphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate Openeye Name: [2-(1-methylbutoxy)phenyl] 4-[4-(1-hexadecoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-hexadecoxyethyl)phenyl]benzoic acid (2-pentan-2-yloxyphenyl) ester IUPAC Name: (2-pentan-2-yloxyphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-cetyloxyethyl)phenyl]benzoic acid [2-(1-methylbutoxy)phenyl] ester Formula: C42H60O4 MolecularWeight: 628.9234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3OC(C)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3OC(C)CCC

InChI

InChI=1S/C42H60O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-33-44-35(4)36-25-27-37(28-26-36)38-29-31-39(32-30-38)42(43)46-41-24-20-19-23-40(41)45-34(3)22-6-2/h19-20,23-32,34-35H,5-18,21-22,33H2,1-4H3