2-(1,3-benzodioxol-4-ylmethyl)-3-sulfanyl-propanal

Systemtic Name: 2-(1,3-benzodioxol-4-ylmethyl)-3-sulfanyl-propanal Openeye Name: 2-(1,3-benzodioxol-4-ylmethyl)-3-sulfanyl-propanal CAS Name: 2-(1,3-benzodioxol-4-ylmethyl)-3-mercaptopropanal IUPAC Name: 2-(1,3-benzodioxol-4-ylmethyl)-3-sulfanylpropanal Traditional Name: 2-(1,3-benzodioxol-4-ylmethyl)-3-mercapto-propionaldehyde Formula: C11H12O3S MolecularWeight: 224.27618

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)CC(CS)C=O

Isomeric SMILES

C1OC2=CC=CC(=C2O1)CC(CS)C=O

InChI

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