2,3-bis[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]butanedioic acid

Systemtic Name: 2,3-bis[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]butanedioic acid Openeye Name: 2,3-bis[3-(3,4-dihydroxyphenyl)propanoyloxy]butanedioic acid CAS Name: 2,3-bis[3-(3,4-dihydroxyphenyl)-1-oxopropoxy]butanedioic acid IUPAC Name: 2,3-bis[3-(3,4-dihydroxyphenyl)propanoyloxy]butanedioic acid Traditional Name: 2,3-bis[3-(3,4-dihydroxyphenyl)propanoyloxy]succinic acid Formula: C22H22O12 MolecularWeight: 478.40288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCC(=O)OC(C(C(=O)O)OC(=O)CCC2=CC(=C(C=C2)O)O)C(=O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1CCC(=O)OC(C(C(=O)O)OC(=O)CCC2=CC(=C(C=C2)O)O)C(=O)O)O)O

InChI

InChI=1S/C22H22O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-2,5-6,9-10,19-20,23-26H,3-4,7-8H2,(H,29,30)(H,31,32)