[4-[4-(1-hexadecoxyethyl)phenyl]phenyl] 4-butoxybenzoate

Systemtic Name: [4-[4-(1-hexadecoxyethyl)phenyl]phenyl] 4-butoxybenzoate Openeye Name: [4-[4-(1-hexadecoxyethyl)phenyl]phenyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [4-[4-(1-hexadecoxyethyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(1-hexadecoxyethyl)phenyl]phenyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [4-[4-(1-cetyloxyethyl)phenyl]phenyl] ester Formula: C41H58O4 MolecularWeight: 614.89682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OCCCC

InChI

InChI=1S/C41H58O4/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-33-43-34(3)35-20-22-36(23-21-35)37-24-30-40(31-25-37)45-41(42)38-26-28-39(29-27-38)44-32-7-5-2/h20-31,34H,4-19,32-33H2,1-3H3