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

Systemtic Name: 2,3-bis[[3,4-bis(oxidanyl)phenyl]carbonyloxy]butanedioic acid Openeye Name: 2,3-bis[(3,4-dihydroxybenzoyl)oxy]butanedioic acid CAS Name: 2,3-bis[(3,4-dihydroxyphenyl)-oxomethoxy]butanedioic acid IUPAC Name: 2,3-bis[(3,4-dihydroxybenzoyl)oxy]butanedioic acid Traditional Name: 2,3-diprotocatechuoyloxysuccinic acid Formula: C18H14O12 MolecularWeight: 422.29656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OC(C(C(=O)O)OC(=O)C2=CC(=C(C=C2)O)O)C(=O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OC(C(C(=O)O)OC(=O)C2=CC(=C(C=C2)O)O)C(=O)O)O)O

InChI

InChI=1S/C18H14O12/c19-9-3-1-7(5-11(9)21)17(27)29-13(15(23)24)14(16(25)26)30-18(28)8-2-4-10(20)12(22)6-8/h1-6,13-14,19-22H,(H,23,24)(H,25,26)