3-(2,5-dimethylphenyl)sulfanylpropanal

Systemtic Name: 3-(2,5-dimethylphenyl)sulfanylpropanal Openeye Name: 3-(2,5-dimethylphenyl)sulfanylpropanal CAS Name: 3-[(2,5-dimethylphenyl)thio]propanal IUPAC Name: 3-(2,5-dimethylphenyl)sulfanylpropanal Traditional Name: 3-[(2,5-dimethylphenyl)thio]propionaldehyde Formula: C11H14OS MolecularWeight: 194.29326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCCC=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCCC=O

InChI

InChI=1S/C11H14OS/c1-9-4-5-10(2)11(8-9)13-7-3-6-12/h4-6,8H,3,7H2,1-2H3