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

Systemtic Name: [4-[4-(1-octadecoxyethyl)phenyl]phenyl] 4-butoxybenzoate Openeye Name: [4-[4-(1-octadecoxyethyl)phenyl]phenyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [4-[4-(1-octadecoxyethyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(1-octadecoxyethyl)phenyl]phenyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [4-[4-(1-stearyloxyethyl)phenyl]phenyl] ester Formula: C43H62O4 MolecularWeight: 642.94998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H62O4/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-35-45-36(3)37-22-24-38(25-23-37)39-26-32-42(33-27-39)47-43(44)40-28-30-41(31-29-40)46-34-7-5-2/h22-33,36H,4-21,34-35H2,1-3H3