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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCOC1CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1COCOC1CSC2=CC=C(C=C2)C(=O)O

InChI

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