2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)benzoic acid

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)benzoic acid Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)benzoic acid CAS Name: 2-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]benzoic acid IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)benzoic acid Traditional Name: 2-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]benzoic acid Formula: C16H14O4S MolecularWeight: 302.34496

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC3=CC=CC=C3C(=O)O

InChI

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