4-chloranyl-1-hexadecylsulfonyl-2-nitro-benzene

Systemtic Name: 4-chloranyl-1-hexadecylsulfonyl-2-nitro-benzene Openeye Name: 4-chloro-1-hexadecylsulfonyl-2-nitro-benzene CAS Name: 4-chloro-1-hexadecylsulfonyl-2-nitrobenzene IUPAC Name: 4-chloro-1-hexadecylsulfonyl-2-nitrobenzene Traditional Name: 1-cetylsulfonyl-4-chloro-2-nitro-benzene Formula: C22H36ClNO4S MolecularWeight: 446.04354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H36ClNO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-29(27,28)22-17-16-20(23)19-21(22)24(25)26/h16-17,19H,2-15,18H2,1H3