1-[1-(4-chlorophenyl)sulfanyl-2-nitro-ethyl]-3-nitro-benzene

Systemtic Name: 1-[1-(4-chlorophenyl)sulfanyl-2-nitro-ethyl]-3-nitro-benzene Openeye Name: 1-[1-(4-chlorophenyl)sulfanyl-2-nitro-ethyl]-3-nitro-benzene CAS Name: 1-[1-[(4-chlorophenyl)thio]-2-nitroethyl]-3-nitrobenzene IUPAC Name: 1-[1-(4-chlorophenyl)sulfanyl-2-nitroethyl]-3-nitrobenzene Traditional Name: 1-[1-[(4-chlorophenyl)thio]-2-nitro-ethyl]-3-nitro-benzene Formula: C14H11ClN2O4S MolecularWeight: 338.76614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(C[N+](=O)[O-])SC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(C[N+](=O)[O-])SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H11ClN2O4S/c15-11-4-6-13(7-5-11)22-14(9-16(18)19)10-2-1-3-12(8-10)17(20)21/h1-8,14H,9H2