1-[2-chloranyl-3-(phenylmethyl)sulfonyl-propyl]sulfanyl-4-nitro-benzene

Systemtic Name: 1-[2-chloranyl-3-(phenylmethyl)sulfonyl-propyl]sulfanyl-4-nitro-benzene Openeye Name: 1-(3-benzylsulfonyl-2-chloro-propyl)sulfanyl-4-nitro-benzene CAS Name: 1-[[2-chloro-3-(phenylmethyl)sulfonylpropyl]thio]-4-nitrobenzene IUPAC Name: 1-(3-benzylsulfonyl-2-chloropropyl)sulfanyl-4-nitrobenzene Traditional Name: 1-[(3-benzylsulfonyl-2-chloro-propyl)thio]-4-nitro-benzene Formula: C16H16ClNO4S2 MolecularWeight: 385.88554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CC(CSC2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CC(CSC2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H16ClNO4S2/c17-14(10-23-16-8-6-15(7-9-16)18(19)20)12-24(21,22)11-13-4-2-1-3-5-13/h1-9,14H,10-12H2