(1-dodecyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-butoxyethyl)benzoate

Systemtic Name: (1-dodecyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-butoxyethyl)benzoate Openeye Name: (1-dodecyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-butoxyethyl)benzoate CAS Name: 4-(1-butoxyethyl)benzoic acid (1-dodecyl-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-dodecyl-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-butoxyethyl)benzoate Traditional Name: 4-(1-butoxyethyl)benzoic acid (1-lauryl-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C37H52O3 MolecularWeight: 544.80698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCCC

Isomeric SMILES

CCCCCCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCCC

InChI

InChI=1S/C37H52O3/c1-4-6-8-9-10-11-12-13-14-18-27-37(28-25-34(26-29-37)33-19-16-15-17-20-33)40-36(38)35-23-21-32(22-24-35)31(3)39-30-7-5-2/h15-17,19-26,28-29,31,34H,4-14,18,27,30H2,1-3H3