4-carboxy-7-(2-iodanylethanoylazaniumylidene)-5,6,8,8a-tetrahydrochromen-2-olate

Systemtic Name: 4-carboxy-7-(2-iodanylethanoylazaniumylidene)-5,6,8,8a-tetrahydrochromen-2-olate Openeye Name: 4-carboxy-7-(2-iodoacetyl)iminio-5,6,8,8a-tetrahydrochromen-2-olate CAS Name: 4-carboxy-7-(2-iodo-1-oxoethyl)iminio-5,6,8,8a-tetrahydro-1-benzopyran-2-olate IUPAC Name: 4-carboxy-7-(2-iodoacetyl)azaniumylidene-5,6,8,8a-tetrahydrochromen-2-olate Traditional Name: 4-carboxy-7-(2-iodoacetyl)iminio-5,6,8,8a-tetrahydrochromen-2-olate Formula: C12H12INO5 MolecularWeight: 377.13185

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(OC2CC1=[NH+]C(=O)CI)[O-])C(=O)O

Isomeric SMILES

C1CC2=C(C=C(OC2CC1=[NH+]C(=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)