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

Systemtic Name: (1-pentadecyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-octoxyethyl)benzoate Openeye Name: (1-pentadecyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-octoxyethyl)benzoate CAS Name: 4-(1-octoxyethyl)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-octoxyethyl)benzoate Traditional Name: 4-(1-octoxyethyl)benzoic acid (1-pentadecyl-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C44H66O3 MolecularWeight: 642.99304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H66O3/c1-4-6-8-10-12-13-14-15-16-17-18-19-24-34-44(35-32-41(33-36-44)40-26-22-21-23-27-40)47-43(45)42-30-28-39(29-31-42)38(3)46-37-25-20-11-9-7-5-2/h21-23,26-33,35-36,38,41H,4-20,24-25,34,37H2,1-3H3