2-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]ethanal

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]ethanal Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]acetaldehyde CAS Name: 2-[2-(1,3-benzodioxol-5-yl)ethylthio]acetaldehyde IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]acetaldehyde Traditional Name: 2-(homopiperonylthio)acetaldehyde Formula: C11H12O3S MolecularWeight: 224.27618

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCSCC=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCSCC=O

InChI

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