2,5-bis(3-azanylidene-5-iodanyl-2-oxidanyl-cyclohexa-1,5-dien-1-yl)hexanedioic acid

Systemtic Name: 2,5-bis(3-azanylidene-5-iodanyl-2-oxidanyl-cyclohexa-1,5-dien-1-yl)hexanedioic acid Openeye Name: 2,5-bis(2-hydroxy-3-imino-5-iodo-cyclohexa-1,5-dien-1-yl)hexanedioic acid CAS Name: 2,5-bis(2-hydroxy-3-imino-5-iodo-1-cyclohexa-1,5-dienyl)hexanedioic acid IUPAC Name: 2,5-bis(2-hydroxy-3-imino-5-iodocyclohexa-1,5-dien-1-yl)hexanedioic acid Traditional Name: 2,5-bis(2-hydroxy-3-imino-5-iodo-cyclohexa-1,5-dien-1-yl)adipic acid Formula: C18H18I2N2O6 MolecularWeight: 612.15426

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC(=C(C1=N)O)C(CCC(C2=C(C(=N)CC(=C2)I)O)C(=O)O)C(=O)O)I

Isomeric SMILES

C1C(=CC(=C(C1=N)O)C(CCC(C2=C(C(=N)CC(=C2)I)O)C(=O)O)C(=O)O)I

InChI

InChI=1S/C18H18I2N2O6/c19-7-3-11(15(23)13(21)5-7)9(17(25)26)1-2-10(18(27)28)12-4-8(20)6-14(22)16(12)24/h3-4,9-10,21-24H,1-2,5-6H2,(H,25,26)(H,27,28)