2-isocyanato-2-(phenylmethyl)sulfonyl-propanal

Systemtic Name: 2-isocyanato-2-(phenylmethyl)sulfonyl-propanal Openeye Name: 2-benzylsulfonyl-2-isocyanato-propanal CAS Name: 2-isocyanato-2-(phenylmethyl)sulfonylpropanal IUPAC Name: 2-benzylsulfonyl-2-isocyanatopropanal Traditional Name: 2-benzylsulfonyl-2-isocyanato-propionaldehyde Formula: C11H11NO4S MolecularWeight: 253.27434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO4S/c1-11(8-13,12-9-14)17(15,16)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3