2-(1,3-benzodioxol-5-yl)-2-phenylsulfanyl-ethanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-phenylsulfanyl-ethanoic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-phenylsulfanyl-acetic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-2-(phenylthio)acetic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-phenylsulfanylacetic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-(phenylthio)acetic acid Formula: C15H12O4S MolecularWeight: 288.31838

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C(=O)O)SC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C(=O)O)SC3=CC=CC=C3

InChI

InChI=1S/C15H12O4S/c16-15(17)14(20-11-4-2-1-3-5-11)10-6-7-12-13(8-10)19-9-18-12/h1-8,14H,9H2,(H,16,17)