3,6-bis(2-oxidanylbutanoyl)benzene-1,2,4,5-tetracarboxylate

Systemtic Name: 3,6-bis(2-oxidanylbutanoyl)benzene-1,2,4,5-tetracarboxylate Openeye Name: 3,6-bis(2-hydroxybutanoyl)benzene-1,2,4,5-tetracarboxylate CAS Name: 3,6-bis(2-hydroxy-1-oxobutyl)benzene-1,2,4,5-tetracarboxylate IUPAC Name: 3,6-bis(2-hydroxybutanoyl)benzene-1,2,4,5-tetracarboxylate Traditional Name: 3,6-bis(2-hydroxybutanoyl)benzene-1,2,4,5-tetracarboxylate Formula: C18H14O12-4 MolecularWeight: 422.29656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=C(C(=C(C(=C1C(=O)[O-])C(=O)[O-])C(=O)C(CC)O)C(=O)[O-])C(=O)[O-])O

Isomeric SMILES

CCC(C(=O)C1=C(C(=C(C(=C1C(=O)[O-])C(=O)[O-])C(=O)C(CC)O)C(=O)[O-])C(=O)[O-])O

InChI

InChI=1S/C18H18O12/c1-3-5(19)13(21)7-9(15(23)24)11(17(27)28)8(14(22)6(20)4-2)12(18(29)30)10(7)16(25)26/h5-6,19-20H,3-4H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30)/p-4