(1-nonoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-hexadecoxyethyl)benzoate

Systemtic Name: (1-nonoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-hexadecoxyethyl)benzoate Openeye Name: (1-nonoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-hexadecoxyethyl)benzoate CAS Name: 4-(1-hexadecoxyethyl)benzoic acid (1-nonoxy-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-nonoxy-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-hexadecoxyethyl)benzoate Traditional Name: 4-(1-cetyloxyethyl)benzoic acid (1-nonoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C46H70O4 MolecularWeight: 687.0456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)OCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)OCCCCCCCCC

InChI

InChI=1S/C46H70O4/c1-4-6-8-10-12-13-14-15-16-17-18-20-21-26-38-48-40(3)41-30-32-44(33-31-41)45(47)50-46(49-39-27-22-19-11-9-7-5-2)36-34-43(35-37-46)42-28-24-23-25-29-42/h23-25,28-37,40,43H,4-22,26-27,38-39H2,1-3H3