[1-(1-hexadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-pentadecoxybenzoate

Systemtic Name: [1-(1-hexadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-pentadecoxybenzoate Openeye Name: [1-(1-hexadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-pentadecoxybenzoate CAS Name: 4-pentadecoxybenzoic acid [1-(1-hexadecoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-hexadecoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-pentadecoxybenzoate Traditional Name: 4-pentadecoxybenzoic acid [1-(1-cetyloxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C52H82O4 MolecularWeight: 771.20508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C52H82O4/c1-4-6-8-10-12-14-16-18-20-21-23-25-27-32-44-54-46(3)52(42-40-48(41-43-52)47-34-30-29-31-35-47)56-51(53)49-36-38-50(39-37-49)55-45-33-28-26-24-22-19-17-15-13-11-9-7-5-2/h29-31,34-43,46,48H,4-28,32-33,44-45H2,1-3H3