2-(phenylmethyl)-1,3-dithiane-2-carboxylic acid

Systemtic Name: 2-(phenylmethyl)-1,3-dithiane-2-carboxylic acid Openeye Name: 2-benzyl-1,3-dithiane-2-carboxylic acid CAS Name: 2-(phenylmethyl)-1,3-dithiane-2-carboxylic acid IUPAC Name: 2-benzyl-1,3-dithiane-2-carboxylic acid Traditional Name: 2-benzyl-1,3-dithiane-2-carboxylic acid Formula: C12H14O2S2 MolecularWeight: 254.36836

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CSC(SC1)(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C12H14O2S2/c13-11(14)12(15-7-4-8-16-12)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,14)