propan-2-yl 2-chloranyl-4-octadecanoyl-benzoate

Systemtic Name: propan-2-yl 2-chloranyl-4-octadecanoyl-benzoate Openeye Name: isopropyl 2-chloro-4-octadecanoyl-benzoate CAS Name: 2-chloro-4-(1-oxooctadecyl)benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-chloro-4-octadecanoylbenzoate Traditional Name: 2-chloro-4-stearoyl-benzoic acid isopropyl ester Formula: C28H45ClO3 MolecularWeight: 465.1081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H45ClO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(30)24-20-21-25(26(29)22-24)28(31)32-23(2)3/h20-23H,4-19H2,1-3H3