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

Systemtic Name: (1-pentadecyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-decoxyethyl)benzoate Openeye Name: (1-pentadecyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-decoxyethyl)benzoate CAS Name: 4-(1-decoxyethyl)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-decoxyethyl)benzoate Traditional Name: 4-(1-decoxyethyl)benzoic acid (1-pentadecyl-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C46H70O3 MolecularWeight: 671.0462

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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)OCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C46H70O3/c1-4-6-8-10-12-14-15-16-17-18-19-21-26-36-46(37-34-43(35-38-46)42-28-24-23-25-29-42)49-45(47)44-32-30-41(31-33-44)40(3)48-39-27-22-20-13-11-9-7-5-2/h23-25,28-35,37-38,40,43H,4-22,26-27,36,39H2,1-3H3