1-nitro-4-[4-(phenylsulfonyl)butylsulfinyl]benzene

Systemtic Name: 1-nitro-4-[4-(phenylsulfonyl)butylsulfinyl]benzene Openeye Name: 1-[4-(benzenesulfonyl)butylsulfinyl]-4-nitro-benzene CAS Name: 1-[4-(benzenesulfonyl)butylsulfinyl]-4-nitrobenzene IUPAC Name: 1-[4-(benzenesulfonyl)butylsulfinyl]-4-nitrobenzene Traditional Name: 1-(4-besylbutylsulfinyl)-4-nitro-benzene Formula: C16H17NO5S2 MolecularWeight: 367.43988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCCCS(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCCCS(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H17NO5S2/c18-17(19)14-8-10-15(11-9-14)23(20)12-4-5-13-24(21,22)16-6-2-1-3-7-16/h1-3,6-11H,4-5,12-13H2