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

Systemtic Name: [4-[4-(1-hexadecoxyethyl)phenyl]phenyl] 4-decoxybenzoate Openeye Name: [4-[4-(1-hexadecoxyethyl)phenyl]phenyl] 4-decoxybenzoate CAS Name: 4-decoxybenzoic acid [4-[4-(1-hexadecoxyethyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(1-hexadecoxyethyl)phenyl]phenyl] 4-decoxybenzoate Traditional Name: 4-decoxybenzoic acid [4-[4-(1-cetyloxyethyl)phenyl]phenyl] ester Formula: C47H70O4 MolecularWeight: 699.0563

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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)OCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C47H70O4/c1-4-6-8-10-12-14-15-16-17-18-19-21-22-24-38-49-40(3)41-26-28-42(29-27-41)43-30-36-46(37-31-43)51-47(48)44-32-34-45(35-33-44)50-39-25-23-20-13-11-9-7-5-2/h26-37,40H,4-25,38-39H2,1-3H3