2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)benzoic acid

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)benzoic acid Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)benzoic acid CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)benzoic acid IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)benzoic acid Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)benzoic acid Formula: C16H14O4S MolecularWeight: 302.34496

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C16H14O4S/c17-16(18)12-5-1-4-8-15(12)21-10-11-9-19-13-6-2-3-7-14(13)20-11/h1-8,11H,9-10H2,(H,17,18)