7-(2-iodanylethanoylimino)-2-oxidanyl-5,6,8,8a-tetrahydrochromene-4-carboxylic acid

Systemtic Name: 7-(2-iodanylethanoylimino)-2-oxidanyl-5,6,8,8a-tetrahydrochromene-4-carboxylic acid Openeye Name: 2-hydroxy-7-(2-iodoacetyl)imino-5,6,8,8a-tetrahydrochromene-4-carboxylic acid CAS Name: 2-hydroxy-7-(2-iodo-1-oxoethyl)imino-5,6,8,8a-tetrahydro-1-benzopyran-4-carboxylic acid IUPAC Name: 2-hydroxy-7-(2-iodoacetyl)imino-5,6,8,8a-tetrahydrochromene-4-carboxylic acid Traditional Name: 2-hydroxy-7-(2-iodoacetyl)imino-5,6,8,8a-tetrahydrochromene-4-carboxylic acid Formula: C12H12INO5 MolecularWeight: 377.13185

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(OC2CC1=NC(=O)CI)O)C(=O)O

Isomeric SMILES

C1CC2=C(C=C(OC2CC1=NC(=O)CI)O)C(=O)O

InChI

InChI=1S/C12H12INO5/c13-5-10(15)14-6-1-2-7-8(12(17)18)4-11(16)19-9(7)3-6/h4,9,16H,1-3,5H2,(H,17,18)