2-(phenylmethyl)-3-propan-2-ylsulfonyl-propanal

Systemtic Name: 2-(phenylmethyl)-3-propan-2-ylsulfonyl-propanal Openeye Name: 2-benzyl-3-isopropylsulfonyl-propanal CAS Name: 2-(phenylmethyl)-3-propan-2-ylsulfonylpropanal IUPAC Name: 2-benzyl-3-propan-2-ylsulfonylpropanal Traditional Name: 2-benzyl-3-isopropylsulfonyl-propionaldehyde Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3S/c1-11(2)17(15,16)10-13(9-14)8-12-6-4-3-5-7-12/h3-7,9,11,13H,8,10H2,1-2H3