2,5-bis[4-azanyl-3,5-bis(chloranyl)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]hexanedioic acid

Systemtic Name: 2,5-bis[4-azanyl-3,5-bis(chloranyl)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]hexanedioic acid Openeye Name: 2,5-bis(4-amino-3,5-dichloro-6-oxo-cyclohexa-1,4-dien-1-yl)hexanedioic acid CAS Name: 2,5-bis(4-amino-3,5-dichloro-6-oxo-1-cyclohexa-1,4-dienyl)hexanedioic acid IUPAC Name: 2,5-bis(4-amino-3,5-dichloro-6-oxocyclohexa-1,4-dien-1-yl)hexanedioic acid Traditional Name: 2,5-bis(4-amino-3,5-dichloro-6-keto-cyclohexa-1,4-dien-1-yl)adipic acid Formula: C18H16Cl4N2O6 MolecularWeight: 498.14144

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=O)C(=C(C1Cl)N)Cl)C(CCC(C2=CC(C(=C(C2=O)Cl)N)Cl)C(=O)O)C(=O)O

Isomeric SMILES

C1=C(C(=O)C(=C(C1Cl)N)Cl)C(CCC(C2=CC(C(=C(C2=O)Cl)N)Cl)C(=O)O)C(=O)O

InChI

InChI=1S/C18H16Cl4N2O6/c19-9-3-7(15(25)11(21)13(9)23)5(17(27)28)1-2-6(18(29)30)8-4-10(20)14(24)12(22)16(8)26/h3-6,9-10H,1-2,23-24H2,(H,27,28)(H,29,30)