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

Systemtic Name: (4-phenyl-1-propyl-cyclohexa-2,5-dien-1-yl) 4-(1-hexadecoxyethyl)benzoate Openeye Name: (4-phenyl-1-propyl-cyclohexa-2,5-dien-1-yl) 4-(1-hexadecoxyethyl)benzoate CAS Name: 4-(1-hexadecoxyethyl)benzoic acid (4-phenyl-1-propyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (4-phenyl-1-propylcyclohexa-2,5-dien-1-yl) 4-(1-hexadecoxyethyl)benzoate Traditional Name: 4-(1-cetyloxyethyl)benzoic acid (4-phenyl-1-propyl-cyclohexa-2,5-dien-1-yl) ester Formula: C40H58O3 MolecularWeight: 586.88672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H58O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-33-42-34(3)35-24-26-38(27-25-35)39(41)43-40(30-5-2)31-28-37(29-32-40)36-22-19-18-20-23-36/h18-20,22-29,31-32,34,37H,4-17,21,30,33H2,1-3H3