(2-hexan-3-ylphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate

Systemtic Name: (2-hexan-3-ylphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate Openeye Name: [2-(1-ethylbutyl)phenyl] 4-[4-(1-hexadecoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-hexadecoxyethyl)phenyl]benzoic acid (2-hexan-3-ylphenyl) ester IUPAC Name: (2-hexan-3-ylphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-cetyloxyethyl)phenyl]benzoic acid [2-(1-ethylbutyl)phenyl] ester Formula: C43H62O3 MolecularWeight: 626.95058

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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=C3C(CC)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3C(CC)CCC

InChI

InChI=1S/C43H62O3/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-22-34-45-35(4)37-26-28-38(29-27-37)39-30-32-40(33-31-39)43(44)46-42-25-21-20-24-41(42)36(7-3)23-6-2/h20-21,24-33,35-36H,5-19,22-23,34H2,1-4H3