2,2-bis(2-carboxy-6-chloranyl-4-propyl-phenyl)pentanedioic acid

Systemtic Name: 2,2-bis(2-carboxy-6-chloranyl-4-propyl-phenyl)pentanedioic acid Openeye Name: 2,2-bis(2-carboxy-6-chloro-4-propyl-phenyl)pentanedioic acid CAS Name: 2,2-bis(2-carboxy-6-chloro-4-propylphenyl)pentanedioic acid IUPAC Name: 2,2-bis(2-carboxy-6-chloro-4-propylphenyl)pentanedioic acid Traditional Name: 2,2-bis(2-carboxy-6-chloro-4-propyl-phenyl)glutaric acid Formula: C25H26Cl2O8 MolecularWeight: 525.37514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C(=C1)C(=O)O)C(CCC(=O)O)(C2=C(C=C(C=C2C(=O)O)CCC)Cl)C(=O)O)Cl

Isomeric SMILES

CCCC1=CC(=C(C(=C1)C(=O)O)C(CCC(=O)O)(C2=C(C=C(C=C2C(=O)O)CCC)Cl)C(=O)O)Cl

InChI

InChI=1S/C25H26Cl2O8/c1-3-5-13-9-15(22(30)31)20(17(26)11-13)25(24(34)35,8-7-19(28)29)21-16(23(32)33)10-14(6-4-2)12-18(21)27/h9-12H,3-8H2,1-2H3,(H,28,29)(H,30,31)(H,32,33)(H,34,35)