4-(1,3-benzodioxol-5-yl)-2-methyl-2-phenylsulfanyl-butanal

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-2-phenylsulfanyl-butanal Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-2-phenylsulfanyl-butanal CAS Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-2-(phenylthio)butanal IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-2-phenylsulfanylbutanal Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-2-(phenylthio)butyraldehyde Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(C=C1)OCO2)(C=O)SC3=CC=CC=C3

Isomeric SMILES

CC(CCC1=CC2=C(C=C1)OCO2)(C=O)SC3=CC=CC=C3

InChI

InChI=1S/C18H18O3S/c1-18(12-19,22-15-5-3-2-4-6-15)10-9-14-7-8-16-17(11-14)21-13-20-16/h2-8,11-12H,9-10,13H2,1H3