2-(1,3-benzodioxol-5-ylmethyl)-3-sulfanyl-propanal

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-sulfanyl-propanal Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-sulfanyl-propanal CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-mercaptopropanal IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-sulfanylpropanal Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-(mercaptomethyl)propionaldehyde Formula: C11H12O3S MolecularWeight: 224.27618

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC(CS)C=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC(CS)C=O

InChI

InChI=1S/C11H12O3S/c12-5-9(6-15)3-8-1-2-10-11(4-8)14-7-13-10/h1-2,4-5,9,15H,3,6-7H2