4-(2-methoxyphenyl)-4-oxidanyl-1,3-dihydroisothiochromene-3-carboxylic acid

Systemtic Name: 4-(2-methoxyphenyl)-4-oxidanyl-1,3-dihydroisothiochromene-3-carboxylic acid Openeye Name: 4-hydroxy-4-(2-methoxyphenyl)isothiochromane-3-carboxylic acid CAS Name: 4-hydroxy-4-(2-methoxyphenyl)-1,3-dihydro-2-benzothiopyran-3-carboxylic acid IUPAC Name: 4-hydroxy-4-(2-methoxyphenyl)-1,3-dihydroisothiochromene-3-carboxylic acid Traditional Name: 4-hydroxy-4-(2-methoxyphenyl)isothiochroman-3-carboxylic acid Formula: C17H16O4S MolecularWeight: 316.37154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2(C(SCC3=CC=CC=C32)C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1C2(C(SCC3=CC=CC=C32)C(=O)O)O

InChI

InChI=1S/C17H16O4S/c1-21-14-9-5-4-8-13(14)17(20)12-7-3-2-6-11(12)10-22-15(17)16(18)19/h2-9,15,20H,10H2,1H3,(H,18,19)