(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-dodecoxyethyl)benzoate

Systemtic Name: (1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-dodecoxyethyl)benzoate Openeye Name: (1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-dodecoxyethyl)benzoate CAS Name: 4-(1-dodecoxyethyl)benzoic acid (1-heptyl-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-heptyl-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-dodecoxyethyl)benzoate Traditional Name: 4-(1-lauryloxyethyl)benzoic acid (1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C40H58O3 MolecularWeight: 586.88672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)CCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)CCCCCCC

InChI

InChI=1S/C40H58O3/c1-4-6-8-10-11-12-13-14-16-21-33-42-34(3)35-24-26-38(27-25-35)39(41)43-40(30-20-15-9-7-5-2)31-28-37(29-32-40)36-22-18-17-19-23-36/h17-19,22-29,31-32,34,37H,4-16,20-21,30,33H2,1-3H3