6-methyl-4-oxidanyl-3,4-dihydro-2H-thiochromene-7-carboxylic acid

Systemtic Name: 6-methyl-4-oxidanyl-3,4-dihydro-2H-thiochromene-7-carboxylic acid Openeye Name: 4-hydroxy-6-methyl-thiochromane-7-carboxylic acid CAS Name: 4-hydroxy-6-methyl-3,4-dihydro-2H-1-benzothiopyran-7-carboxylic acid IUPAC Name: 4-hydroxy-6-methyl-3,4-dihydro-2H-thiochromene-7-carboxylic acid Traditional Name: 4-hydroxy-6-methyl-thiochroman-7-carboxylic acid Formula: C11H12O3S MolecularWeight: 224.27618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(=O)O)SCCC2O

Isomeric SMILES

CC1=CC2=C(C=C1C(=O)O)SCCC2O

InChI

InChI=1S/C11H12O3S/c1-6-4-8-9(12)2-3-15-10(8)5-7(6)11(13)14/h4-5,9,12H,2-3H2,1H3,(H,13,14)