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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC3=CC=CC(=C3)C(=O)O

InChI

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