2-[oxidanyl(phenyl)methyl]-1,3-dithiane-2-carboxylic acid

Systemtic Name: 2-[oxidanyl(phenyl)methyl]-1,3-dithiane-2-carboxylic acid Openeye Name: 2-[hydroxy(phenyl)methyl]-1,3-dithiane-2-carboxylic acid CAS Name: 2-[hydroxy(phenyl)methyl]-1,3-dithiane-2-carboxylic acid IUPAC Name: 2-[hydroxy(phenyl)methyl]-1,3-dithiane-2-carboxylic acid Traditional Name: 2-[hydroxy(phenyl)methyl]-1,3-dithiane-2-carboxylic acid Formula: C12H14O3S2 MolecularWeight: 270.36776

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)(C(C2=CC=CC=C2)O)C(=O)O

Isomeric SMILES

C1CSC(SC1)(C(C2=CC=CC=C2)O)C(=O)O

InChI

InChI=1S/C12H14O3S2/c13-10(9-5-2-1-3-6-9)12(11(14)15)16-7-4-8-17-12/h1-3,5-6,10,13H,4,7-8H2,(H,14,15)