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

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)benzoic acid Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)benzoic acid CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)benzoic acid IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)benzoic acid Traditional Name: 4-(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=C(C=C3)C(=O)O

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CSC3=CC=C(C=C3)C(=O)O

InChI

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