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

Systemtic Name: [4-[4-(1-hexadecoxyethyl)phenyl]phenyl] 4-propylbenzoate Openeye Name: [4-[4-(1-hexadecoxyethyl)phenyl]phenyl] 4-propylbenzoate CAS Name: 4-propylbenzoic acid [4-[4-(1-hexadecoxyethyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(1-hexadecoxyethyl)phenyl]phenyl] 4-propylbenzoate Traditional Name: 4-propylbenzoic acid [4-[4-(1-cetyloxyethyl)phenyl]phenyl] ester Formula: C40H56O3 MolecularWeight: 584.87084

Click to see the large picture

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)CCC

Isomeric SMILES

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

InChI

InChI=1S/C40H56O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-32-42-33(3)35-24-26-36(27-25-35)37-28-30-39(31-29-37)43-40(41)38-22-20-34(19-5-2)21-23-38/h20-31,33H,4-19,32H2,1-3H3