2,2-bis(3-phenoxypropyl)propanedioic acid

Systemtic Name: 2,2-bis(3-phenoxypropyl)propanedioic acid Openeye Name: 2,2-bis(3-phenoxypropyl)propanedioic acid CAS Name: 2,2-bis(3-phenoxypropyl)propanedioic acid IUPAC Name: 2,2-bis(3-phenoxypropyl)propanedioic acid Traditional Name: 2,2-bis(3-phenoxypropyl)malonic acid Formula: C21H24O6 MolecularWeight: 372.41166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCC(CCCOC2=CC=CC=C2)(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCCC(CCCOC2=CC=CC=C2)(C(=O)O)C(=O)O

InChI

InChI=1S/C21H24O6/c22-19(23)21(20(24)25,13-7-15-26-17-9-3-1-4-10-17)14-8-16-27-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,22,23)(H,24,25)