2,4-bis[4-azanyl-1,2,3-tris(oxidanyl)-4-oxidanylidene-butyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 2,4-bis[4-azanyl-1,2,3-tris(oxidanyl)-4-oxidanylidene-butyl]benzene-1,3-dicarboxylic acid Openeye Name: 2,4-bis(4-amino-1,2,3-trihydroxy-4-oxo-butyl)benzene-1,3-dicarboxylic acid CAS Name: 2,4-bis(4-amino-1,2,3-trihydroxy-4-oxobutyl)benzene-1,3-dicarboxylic acid IUPAC Name: 2,4-bis(4-amino-1,2,3-trihydroxy-4-oxobutyl)benzene-1,3-dicarboxylic acid Traditional Name: 2,4-bis(4-amino-1,2,3-trihydroxy-4-keto-butyl)isophthalic acid Formula: C16H20N2O12 MolecularWeight: 432.3362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1C(C(C(C(=O)N)O)O)O)C(=O)O)C(C(C(C(=O)N)O)O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1C(C(C(C(=O)N)O)O)O)C(=O)O)C(C(C(C(=O)N)O)O)O)C(=O)O

InChI

InChI=1S/C16H20N2O12/c17-13(25)11(23)9(21)7(19)3-1-2-4(15(27)28)5(6(3)16(29)30)8(20)10(22)12(24)14(18)26/h1-2,7-12,19-24H,(H2,17,25)(H2,18,26)(H,27,28)(H,29,30)