2-chloranyl-5-octadecanoyl-benzoic acid

Systemtic Name: 2-chloranyl-5-octadecanoyl-benzoic acid Openeye Name: 2-chloro-5-octadecanoyl-benzoic acid CAS Name: 2-chloro-5-(1-oxooctadecyl)benzoic acid IUPAC Name: 2-chloro-5-octadecanoylbenzoic acid Traditional Name: 2-chloro-5-stearoyl-benzoic acid Formula: C25H39ClO3 MolecularWeight: 423.02836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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