4-(oxan-2-ylmethylsulfanyl)benzoic acid

Systemtic Name: 4-(oxan-2-ylmethylsulfanyl)benzoic acid Openeye Name: 4-(tetrahydropyran-2-ylmethylsulfanyl)benzoic acid CAS Name: 4-(2-oxanylmethylthio)benzoic acid IUPAC Name: 4-(oxan-2-ylmethylsulfanyl)benzoic acid Traditional Name: 4-(tetrahydropyran-2-ylmethylthio)benzoic acid Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CCOC(C1)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H16O3S/c14-13(15)10-4-6-12(7-5-10)17-9-11-3-1-2-8-16-11/h4-7,11H,1-3,8-9H2,(H,14,15)