2-[8-(4-chloranyl-2-ethanoyl-phenyl)-2-oxidanyl-octyl]-2-oxidanyl-butanedioic acid

Systemtic Name: 2-[8-(4-chloranyl-2-ethanoyl-phenyl)-2-oxidanyl-octyl]-2-oxidanyl-butanedioic acid Openeye Name: 2-[8-(2-acetyl-4-chloro-phenyl)-2-hydroxy-octyl]-2-hydroxy-butanedioic acid CAS Name: 2-[8-(2-acetyl-4-chlorophenyl)-2-hydroxyoctyl]-2-hydroxybutanedioic acid IUPAC Name: 2-[8-(2-acetyl-4-chlorophenyl)-2-hydroxyoctyl]-2-hydroxybutanedioic acid Traditional Name: 2-[8-(2-acetyl-4-chloro-phenyl)-2-hydroxy-octyl]-2-hydroxy-succinic acid Formula: C20H27ClO7 MolecularWeight: 414.87718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClO7/c1-13(22)17-10-15(21)9-8-14(17)6-4-2-3-5-7-16(23)11-20(28,19(26)27)12-18(24)25/h8-10,16,23,28H,2-7,11-12H2,1H3,(H,24,25)(H,26,27)