3-ethyl-7-oxidanyl-3,4-dihydro-1,2-benzodithiine-6-carboxylic acid

Systemtic Name: 3-ethyl-7-oxidanyl-3,4-dihydro-1,2-benzodithiine-6-carboxylic acid Openeye Name: 3-ethyl-7-hydroxy-3,4-dihydro-1,2-benzodithiine-6-carboxylic acid CAS Name: 3-ethyl-7-hydroxy-3,4-dihydro-1,2-benzodithiin-6-carboxylic acid IUPAC Name: 3-ethyl-7-hydroxy-3,4-dihydro-1,2-benzodithiine-6-carboxylic acid Traditional Name: 3-ethyl-7-hydroxy-3,4-dihydro-1,2-benzodithiin-6-carboxylic acid Formula: C11H12O3S2 MolecularWeight: 256.34118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CC2=C(C=C(C(=C2)C(=O)O)O)SS1

Isomeric SMILES

CCC1CC2=C(C=C(C(=C2)C(=O)O)O)SS1

InChI

InChI=1S/C11H12O3S2/c1-2-7-3-6-4-8(11(13)14)9(12)5-10(6)16-15-7/h4-5,7,12H,2-3H2,1H3,(H,13,14)