(2-methyl-1-nitro-propan-2-yl)sulfinylmethylbenzene

Systemtic Name: (2-methyl-1-nitro-propan-2-yl)sulfinylmethylbenzene Openeye Name: (1,1-dimethyl-2-nitro-ethyl)sulfinylmethylbenzene CAS Name: (2-methyl-1-nitropropan-2-yl)sulfinylmethylbenzene IUPAC Name: (2-methyl-1-nitropropan-2-yl)sulfinylmethylbenzene Traditional Name: (1,1-dimethyl-2-nitro-ethyl)sulfinylmethylbenzene Formula: C11H15NO3S MolecularWeight: 241.3067

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[N+](=O)[O-])S(=O)CC1=CC=CC=C1

Isomeric SMILES

CC(C)(C[N+](=O)[O-])S(=O)CC1=CC=CC=C1

InChI

InChI=1S/C11H15NO3S/c1-11(2,9-12(13)14)16(15)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3