3-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]benzoic acid

Systemtic Name: 3-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]benzoic acid Openeye Name: 3-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]benzoic acid CAS Name: 3-[2-(1,3-dioxolan-2-yl)ethylthio]benzoic acid IUPAC Name: 3-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]benzoic acid Traditional Name: 3-[2-(1,3-dioxolan-2-yl)ethylthio]benzoic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(O1)CCSC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1COC(O1)CCSC2=CC=CC(=C2)C(=O)O

InChI

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