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

Systemtic Name: [4-[4-(1-hexadecoxyethyl)phenyl]phenyl] 4-hexylbenzoate Openeye Name: [4-[4-(1-hexadecoxyethyl)phenyl]phenyl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [4-[4-(1-hexadecoxyethyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(1-hexadecoxyethyl)phenyl]phenyl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [4-[4-(1-cetyloxyethyl)phenyl]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)OC(=O)C3=CC=C(C=C3)CCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C43H62O3/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-21-35-45-36(3)38-27-29-39(30-28-38)40-31-33-42(34-32-40)46-43(44)41-25-23-37(24-26-41)22-20-9-7-5-2/h23-34,36H,4-22,35H2,1-3H3