2,4-bis[4-(dimethylamino)-2-oxidanyl-phenyl]-1,3-bis(oxidanyl)cyclobut-2-ene-1-carboxylic acid

Systemtic Name: 2,4-bis[4-(dimethylamino)-2-oxidanyl-phenyl]-1,3-bis(oxidanyl)cyclobut-2-ene-1-carboxylic acid Openeye Name: 2,4-bis[4-(dimethylamino)-2-hydroxy-phenyl]-1,3-dihydroxy-cyclobut-2-ene-1-carboxylic acid CAS Name: 2,4-bis[4-(dimethylamino)-2-hydroxyphenyl]-1,3-dihydroxy-1-cyclobut-2-enecarboxylic acid IUPAC Name: 2,4-bis[4-(dimethylamino)-2-hydroxyphenyl]-1,3-dihydroxycyclobut-2-ene-1-carboxylic acid Traditional Name: 2,4-bis[4-(dimethylamino)-2-hydroxy-phenyl]-1,3-dihydroxy-cyclobut-2-ene-1-carboxylic acid Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=C(C=C1)C2C(=C(C2(C(=O)O)O)C3=C(C=C(C=C3)N(C)C)O)O)O

Isomeric SMILES

CN(C)C1=CC(=C(C=C1)C2C(=C(C2(C(=O)O)O)C3=C(C=C(C=C3)N(C)C)O)O)O

InChI

InChI=1S/C21H24N2O6/c1-22(2)11-5-7-13(15(24)9-11)17-19(26)18(21(17,29)20(27)28)14-8-6-12(23(3)4)10-16(14)25/h5-10,17,24-26,29H,1-4H3,(H,27,28)