2-(2-methyl-6-nitro-4-oxidanyl-2,3-dihydrothiochromen-4-yl)ethanoic acid

Systemtic Name: 2-(2-methyl-6-nitro-4-oxidanyl-2,3-dihydrothiochromen-4-yl)ethanoic acid Openeye Name: 2-(4-hydroxy-2-methyl-6-nitro-thiochroman-4-yl)acetic acid CAS Name: 2-(4-hydroxy-2-methyl-6-nitro-2,3-dihydro-1-benzothiopyran-4-yl)acetic acid IUPAC Name: 2-(4-hydroxy-2-methyl-6-nitro-2,3-dihydrothiochromen-4-yl)acetic acid Traditional Name: 2-(4-hydroxy-2-methyl-6-nitro-thiochroman-4-yl)acetic acid Formula: C12H13NO5S MolecularWeight: 283.30032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2=C(S1)C=CC(=C2)[N+](=O)[O-])(CC(=O)O)O

Isomeric SMILES

CC1CC(C2=C(S1)C=CC(=C2)[N+](=O)[O-])(CC(=O)O)O

InChI

InChI=1S/C12H13NO5S/c1-7-5-12(16,6-11(14)15)9-4-8(13(17)18)2-3-10(9)19-7/h2-4,7,16H,5-6H2,1H3,(H,14,15)