methyl 2-chloranyl-4-octadecanoyl-benzoate

Systemtic Name: methyl 2-chloranyl-4-octadecanoyl-benzoate Openeye Name: methyl 2-chloro-4-octadecanoyl-benzoate CAS Name: 2-chloro-4-(1-oxooctadecyl)benzoic acid methyl ester IUPAC Name: methyl 2-chloro-4-octadecanoylbenzoate Traditional Name: 2-chloro-4-stearoyl-benzoic acid methyl ester Formula: C26H41ClO3 MolecularWeight: 437.05494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=CC(=C(C=C1)C(=O)OC)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=CC(=C(C=C1)C(=O)OC)Cl

InChI

InChI=1S/C26H41ClO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(28)22-19-20-23(24(27)21-22)26(29)30-2/h19-21H,3-18H2,1-2H3