[6-(hydroxymethyl)-1,2-dithiin-3-yl]methyl 2-oxidanylbenzoate

Systemtic Name: [6-(hydroxymethyl)-1,2-dithiin-3-yl]methyl 2-oxidanylbenzoate Openeye Name: [6-(hydroxymethyl)dithiin-3-yl]methyl 2-hydroxybenzoate CAS Name: 2-hydroxybenzoic acid [6-(hydroxymethyl)-3-dithiinyl]methyl ester IUPAC Name: [6-(hydroxymethyl)dithiin-3-yl]methyl 2-hydroxybenzoate Traditional Name: 2-hydroxybenzoic acid (6-methyloldithiin-3-yl)methyl ester Formula: C13H12O4S2 MolecularWeight: 296.36198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(SS2)CO)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(SS2)CO)O

InChI

InChI=1S/C13H12O4S2/c14-7-9-5-6-10(19-18-9)8-17-13(16)11-3-1-2-4-12(11)15/h1-6,14-15H,7-8H2