(1-butyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-nonadecoxyethyl)benzoate

Systemtic Name: (1-butyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-nonadecoxyethyl)benzoate Openeye Name: (1-butyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-nonadecoxyethyl)benzoate CAS Name: 4-(1-nonadecoxyethyl)benzoic acid (1-butyl-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-butyl-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-nonadecoxyethyl)benzoate Traditional Name: 4-(1-nonadecoxyethyl)benzoic acid (1-butyl-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C44H66O3 MolecularWeight: 642.99304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)CCCC

InChI

InChI=1S/C44H66O3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-37-46-38(3)39-28-30-42(31-29-39)43(45)47-44(34-7-5-2)35-32-41(33-36-44)40-26-23-22-24-27-40/h22-24,26-33,35-36,38,41H,4-21,25,34,37H2,1-3H3