(1-pentadecyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-hexoxyethyl)benzoate

Systemtic Name: (1-pentadecyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-hexoxyethyl)benzoate Openeye Name: (1-pentadecyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-hexoxyethyl)benzoate CAS Name: 4-(1-hexoxyethyl)benzoic acid (1-pentadecyl-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-pentadecyl-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-hexoxyethyl)benzoate Traditional Name: 4-(1-hexoxyethyl)benzoic acid (1-pentadecyl-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C42H62O3 MolecularWeight: 614.93988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCCCCC

InChI

InChI=1S/C42H62O3/c1-4-6-8-10-11-12-13-14-15-16-17-18-22-32-42(33-30-39(31-34-42)38-24-20-19-21-25-38)45-41(43)40-28-26-37(27-29-40)36(3)44-35-23-9-7-5-2/h19-21,24-31,33-34,36,39H,4-18,22-23,32,35H2,1-3H3