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

Systemtic Name: 2-[8-(2-butanoyl-4-chloranyl-phenyl)-2-oxidanyl-octyl]-2-oxidanyl-butanedioic acid Openeye Name: 2-[8-(2-butanoyl-4-chloro-phenyl)-2-hydroxy-octyl]-2-hydroxy-butanedioic acid CAS Name: 2-[8-[4-chloro-2-(1-oxobutyl)phenyl]-2-hydroxyoctyl]-2-hydroxybutanedioic acid IUPAC Name: 2-[8-(2-butanoyl-4-chlorophenyl)-2-hydroxyoctyl]-2-hydroxybutanedioic acid Traditional Name: 2-[8-(2-butyryl-4-chloro-phenyl)-2-hydroxy-octyl]-2-hydroxy-succinic acid Formula: C22H31ClO7 MolecularWeight: 442.93034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31ClO7/c1-2-7-19(25)18-12-16(23)11-10-15(18)8-5-3-4-6-9-17(24)13-22(30,21(28)29)14-20(26)27/h10-12,17,24,30H,2-9,13-14H2,1H3,(H,26,27)(H,28,29)