(1-dodecoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-octoxyethyl)benzoate

Systemtic Name: (1-dodecoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-octoxyethyl)benzoate Openeye Name: (1-dodecoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-octoxyethyl)benzoate CAS Name: 4-(1-octoxyethyl)benzoic acid (1-dodecoxy-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-dodecoxy-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-octoxyethyl)benzoate Traditional Name: 4-(1-octoxyethyl)benzoic acid (1-lauryloxy-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C41H60O4 MolecularWeight: 616.9127

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCCCCCCC

InChI

InChI=1S/C41H60O4/c1-4-6-8-10-12-13-14-15-17-22-34-44-41(31-29-38(30-32-41)37-23-19-18-20-24-37)45-40(42)39-27-25-36(26-28-39)35(3)43-33-21-16-11-9-7-5-2/h18-20,23-32,35,38H,4-17,21-22,33-34H2,1-3H3