1-nitro-4-[(phenylmethyl)sulfinylmethyl]benzene

Systemtic Name: 1-nitro-4-[(phenylmethyl)sulfinylmethyl]benzene Openeye Name: 1-(benzylsulfinylmethyl)-4-nitro-benzene CAS Name: 1-nitro-4-[(phenylmethyl)sulfinylmethyl]benzene IUPAC Name: 1-(benzylsulfinylmethyl)-4-nitrobenzene Traditional Name: 1-(benzylsulfinylmethyl)-4-nitro-benzene Formula: C14H13NO3S MolecularWeight: 275.32292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H13NO3S/c16-15(17)14-8-6-13(7-9-14)11-19(18)10-12-4-2-1-3-5-12/h1-9H,10-11H2