9-(2-chloranyl-4-methyl-phenyl)octadecanoic acid

Systemtic Name: 9-(2-chloranyl-4-methyl-phenyl)octadecanoic acid Openeye Name: 9-(2-chloro-4-methyl-phenyl)octadecanoic acid CAS Name: 9-(2-chloro-4-methylphenyl)octadecanoic acid IUPAC Name: 9-(2-chloro-4-methylphenyl)octadecanoic acid Traditional Name: 9-(2-chloro-4-methyl-phenyl)stearic acid Formula: C25H41ClO2 MolecularWeight: 409.04484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC(=O)O)C1=C(C=C(C=C1)C)Cl

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC(=O)O)C1=C(C=C(C=C1)C)Cl

InChI

InChI=1S/C25H41ClO2/c1-3-4-5-6-7-9-12-15-22(23-19-18-21(2)20-24(23)26)16-13-10-8-11-14-17-25(27)28/h18-20,22H,3-17H2,1-2H3,(H,27,28)