8-(3,4-dichlorophenyl)-8-ethanoyl-12-oxidanyl-heptadecanoic acid

Systemtic Name: 8-(3,4-dichlorophenyl)-8-ethanoyl-12-oxidanyl-heptadecanoic acid Openeye Name: 8-acetyl-8-(3,4-dichlorophenyl)-12-hydroxy-heptadecanoic acid CAS Name: 8-acetyl-8-(3,4-dichlorophenyl)-12-hydroxyheptadecanoic acid IUPAC Name: 8-acetyl-8-(3,4-dichlorophenyl)-12-hydroxyheptadecanoic acid Traditional Name: 8-acetyl-8-(3,4-dichlorophenyl)-12-hydroxy-heptadecanoic acid Formula: C25H38Cl2O4 MolecularWeight: 473.47282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC(CCCCCCC(=O)O)(C1=CC(=C(C=C1)Cl)Cl)C(=O)C)O

Isomeric SMILES

CCCCCC(CCCC(CCCCCCC(=O)O)(C1=CC(=C(C=C1)Cl)Cl)C(=O)C)O

InChI

InChI=1S/C25H38Cl2O4/c1-3-4-7-11-21(29)12-10-17-25(19(2)28,16-9-6-5-8-13-24(30)31)20-14-15-22(26)23(27)18-20/h14-15,18,21,29H,3-13,16-17H2,1-2H3,(H,30,31)