2-[4-(1,3-benzodioxol-5-yl)butylsulfanyl]ethanal

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)butylsulfanyl]ethanal Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)butylsulfanyl]acetaldehyde CAS Name: 2-[4-(1,3-benzodioxol-5-yl)butylthio]acetaldehyde IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)butylsulfanyl]acetaldehyde Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)butylthio]acetaldehyde Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O3S/c14-6-8-17-7-2-1-3-11-4-5-12-13(9-11)16-10-15-12/h4-6,9H,1-3,7-8,10H2