(2-octoxy-1-oxidanylidene-1-phenoxy-propan-2-yl) 4-(4-dodecoxyphenyl)benzoate

Systemtic Name: (2-octoxy-1-oxidanylidene-1-phenoxy-propan-2-yl) 4-(4-dodecoxyphenyl)benzoate Openeye Name: (1-methyl-1-octoxy-2-oxo-2-phenoxy-ethyl) 4-(4-dodecoxyphenyl)benzoate CAS Name: 4-(4-dodecoxyphenyl)benzoic acid (2-octoxy-1-oxo-1-phenoxypropan-2-yl) ester IUPAC Name: (2-octoxy-1-oxo-1-phenoxypropan-2-yl) 4-(4-dodecoxyphenyl)benzoate Traditional Name: 4-(4-lauryloxyphenyl)benzoic acid (2-keto-1-methyl-1-octoxy-2-phenoxy-ethyl) ester Formula: C42H58O6 MolecularWeight: 658.90632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)(C(=O)OC3=CC=CC=C3)OCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)(C(=O)OC3=CC=CC=C3)OCCCCCCCC

InChI

InChI=1S/C42H58O6/c1-4-6-8-10-12-13-14-15-16-21-33-45-38-31-29-36(30-32-38)35-25-27-37(28-26-35)40(43)48-42(3,46-34-22-17-11-9-7-5-2)41(44)47-39-23-19-18-20-24-39/h18-20,23-32H,4-17,21-22,33-34H2,1-3H3