(E)-2-[8-(2,4-dichlorophenyl)-2-oxidanyl-octyl]but-2-enedioic acid

Systemtic Name: (E)-2-[8-(2,4-dichlorophenyl)-2-oxidanyl-octyl]but-2-enedioic acid Openeye Name: (E)-2-[8-(2,4-dichlorophenyl)-2-hydroxy-octyl]but-2-enedioic acid CAS Name: (E)-2-[8-(2,4-dichlorophenyl)-2-hydroxyoctyl]-2-butenedioic acid IUPAC Name: (E)-2-[8-(2,4-dichlorophenyl)-2-hydroxyoctyl]but-2-enedioic acid Traditional Name: (E)-2-[8-(2,4-dichlorophenyl)-2-hydroxy-octyl]but-2-enedioic acid Formula: C18H22Cl2O5 MolecularWeight: 389.27028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)CCCCCCC(CC(=CC(=O)O)C(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)CCCCCCC(C/C(=C\C(=O)O)/C(=O)O)O

InChI

InChI=1S/C18H22Cl2O5/c19-14-8-7-12(16(20)11-14)5-3-1-2-4-6-15(21)9-13(18(24)25)10-17(22)23/h7-8,10-11,15,21H,1-6,9H2,(H,22,23)(H,24,25)/b13-10+