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

Systemtic Name: [6-(hydroxymethyl)-3,6-dihydro-1,2-dithiin-3-yl]methyl 2-oxidanylbenzoate Openeye Name: [6-(hydroxymethyl)-3,6-dihydrodithiin-3-yl]methyl 2-hydroxybenzoate CAS Name: 2-hydroxybenzoic acid [6-(hydroxymethyl)-3,6-dihydrodithiin-3-yl]methyl ester IUPAC Name: [6-(hydroxymethyl)-3,6-dihydrodithiin-3-yl]methyl 2-hydroxybenzoate Traditional Name: 2-hydroxybenzoic acid (6-methylol-3,6-dihydrodithiin-3-yl)methyl ester Formula: C13H14O4S2 MolecularWeight: 298.37786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2C=CC(SS2)CO)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2C=CC(SS2)CO)O

InChI

InChI=1S/C13H14O4S2/c14-7-9-5-6-10(19-18-9)8-17-13(16)11-3-1-2-4-12(11)15/h1-6,9-10,14-15H,7-8H2