2-(oxan-2-ylmethylsulfanyl)benzoic acid

Systemtic Name: 2-(oxan-2-ylmethylsulfanyl)benzoic acid Openeye Name: 2-(tetrahydropyran-2-ylmethylsulfanyl)benzoic acid CAS Name: 2-(2-oxanylmethylthio)benzoic acid IUPAC Name: 2-(oxan-2-ylmethylsulfanyl)benzoic acid Traditional Name: 2-(tetrahydropyran-2-ylmethylthio)benzoic acid Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1CCOC(C1)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C13H16O3S/c14-13(15)11-6-1-2-7-12(11)17-9-10-5-3-4-8-16-10/h1-2,6-7,10H,3-5,8-9H2,(H,14,15)