2,2-bis(4-carboxyphenyl)heptanedioate

Systemtic Name: 2,2-bis(4-carboxyphenyl)heptanedioate Openeye Name: 2,2-bis(4-carboxyphenyl)heptanedioate CAS Name: 2,2-bis(4-carboxyphenyl)heptanedioate IUPAC Name: 2,2-bis(4-carboxyphenyl)heptanedioate Traditional Name: 2,2-bis(4-carboxyphenyl)pimelate Formula: C21H18O8-2 MolecularWeight: 398.36282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)C(CCCCC(=O)[O-])(C2=CC=C(C=C2)C(=O)O)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)C(CCCCC(=O)[O-])(C2=CC=C(C=C2)C(=O)O)C(=O)[O-]

InChI

InChI=1S/C21H20O8/c22-17(23)3-1-2-12-21(20(28)29,15-8-4-13(5-9-15)18(24)25)16-10-6-14(7-11-16)19(26)27/h4-11H,1-3,12H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)/p-2