4-[(3-ethenylsulfonylphenyl)diazenyl]-3-nitro-N,N-bis[2-(trioxidanylsulfanyloxy)ethyl]aniline

Systemtic Name: 4-[(3-ethenylsulfonylphenyl)diazenyl]-3-nitro-N,N-bis[2-(trioxidanylsulfanyloxy)ethyl]aniline Openeye Name: 3-nitro-N,N-bis[2-(trioxidanylsulfanyloxy)ethyl]-4-(3-vinylsulfonylphenyl)azo-aniline CAS Name: 4-(3-ethenylsulfonylphenyl)azo-3-nitro-N,N-bis[2-(trioxidanylthio)oxyethyl]aniline IUPAC Name: 4-[(3-ethenylsulfonylphenyl)diazenyl]-3-nitro-N,N-bis[2-(trioxidanylsulfanyloxy)ethyl]aniline Traditional Name: [3-nitro-4-(3-vinylsulfonylphenyl)azo-phenyl]-bis[2-(trioxidanylthio)oxyethyl]amine Formula: C18H20N4O12S3 MolecularWeight: 580.566

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Descriptors Computed from Structure

Canonical SMILES:

C=CS(=O)(=O)C1=CC=CC(=C1)N=NC2=C(C=C(C=C2)N(CCOSOOO)CCOSOOO)[N+](=O)[O-]

Isomeric SMILES

C=CS(=O)(=O)C1=CC=CC(=C1)N=NC2=C(C=C(C=C2)N(CCOSOOO)CCOSOOO)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O12S3/c1-2-37(27,28)16-5-3-4-14(12-16)19-20-17-7-6-15(13-18(17)22(23)24)21(8-10-29-35-33-31-25)9-11-30-36-34-32-26/h2-7,12-13,25-26H,1,8-11H2