tert-butyl 3-chloranyl-2-oxidanylidene-3-(2-tetradecoxyphenyl)propanoate

Systemtic Name: tert-butyl 3-chloranyl-2-oxidanylidene-3-(2-tetradecoxyphenyl)propanoate Openeye Name: tert-butyl 3-chloro-2-oxo-3-(2-tetradecoxyphenyl)propanoate CAS Name: 3-chloro-2-oxo-3-(2-tetradecoxyphenyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-chloro-2-oxo-3-(2-tetradecoxyphenyl)propanoate Traditional Name: 3-chloro-2-keto-3-(2-myristyloxyphenyl)propionic acid tert-butyl ester Formula: C27H43ClO4 MolecularWeight: 467.08092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC=C1C(C(=O)C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC=C1C(C(=O)C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C27H43ClO4/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-31-23-20-17-16-19-22(23)24(28)25(29)26(30)32-27(2,3)4/h16-17,19-20,24H,5-15,18,21H2,1-4H3