2-chloranyl-4-octadecanoyl-benzoate

Systemtic Name: 2-chloranyl-4-octadecanoyl-benzoate Openeye Name: 2-chloro-4-octadecanoyl-benzoate CAS Name: 2-chloro-4-(1-oxooctadecyl)benzoate IUPAC Name: 2-chloro-4-octadecanoylbenzoate Traditional Name: 2-chloro-4-stearoyl-benzoate Formula: C25H38ClO3- MolecularWeight: 422.02042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=CC(=C(C=C1)C(=O)[O-])Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=CC(=C(C=C1)C(=O)[O-])Cl

InChI

InChI=1S/C25H39ClO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)21-18-19-22(25(28)29)23(26)20-21/h18-20H,2-17H2,1H3,(H,28,29)/p-1