2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-phenyl-ethanoic acid

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-phenyl-ethanoic acid Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-phenyl-acetic acid CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-2-phenylacetic acid IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-phenylacetic acid Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-2-phenyl-acetic acid Formula: C16H14O4S MolecularWeight: 302.34496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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