2-(1,3-dioxan-4-ylmethylsulfanyl)benzoic acid

Systemtic Name: 2-(1,3-dioxan-4-ylmethylsulfanyl)benzoic acid Openeye Name: 2-(1,3-dioxan-4-ylmethylsulfanyl)benzoic acid CAS Name: 2-(1,3-dioxan-4-ylmethylthio)benzoic acid IUPAC Name: 2-(1,3-dioxan-4-ylmethylsulfanyl)benzoic acid Traditional Name: 2-(1,3-dioxan-4-ylmethylthio)benzoic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

C1COCOC1CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1COCOC1CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C12H14O4S/c13-12(14)10-3-1-2-4-11(10)17-7-9-5-6-15-8-16-9/h1-4,9H,5-8H2,(H,13,14)