4-[bis(4-chlorophenyl)-oxidanyl-methyl]phthalic acid

Systemtic Name: 4-[bis(4-chlorophenyl)-oxidanyl-methyl]phthalic acid Openeye Name: 4-[bis(4-chlorophenyl)-hydroxy-methyl]phthalic acid CAS Name: 4-[bis(4-chlorophenyl)-hydroxymethyl]phthalic acid IUPAC Name: 4-[bis(4-chlorophenyl)-hydroxymethyl]phthalic acid Traditional Name: 4-[bis(4-chlorophenyl)-hydroxy-methyl]phthalic acid Formula: C21H14Cl2O5 MolecularWeight: 417.23886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C3=CC(=C(C=C3)C(=O)O)C(=O)O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C3=CC(=C(C=C3)C(=O)O)C(=O)O)O)Cl

InChI

InChI=1S/C21H14Cl2O5/c22-15-6-1-12(2-7-15)21(28,13-3-8-16(23)9-4-13)14-5-10-17(19(24)25)18(11-14)20(26)27/h1-11,28H,(H,24,25)(H,26,27)