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

Systemtic Name: 2,2-bis(2-carboxy-6-chloranyl-4-propyl-phenyl)pentanedioate Openeye Name: 2,2-bis(2-carboxy-6-chloro-4-propyl-phenyl)pentanedioate CAS Name: 2,2-bis(2-carboxy-6-chloro-4-propylphenyl)pentanedioate IUPAC Name: 2,2-bis(2-carboxy-6-chloro-4-propylphenyl)pentanedioate Traditional Name: 2,2-bis(2-carboxy-6-chloro-4-propyl-phenyl)glutarate Formula: C25H24Cl2O8-2 MolecularWeight: 523.35926

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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)/p-2