1-chloranyl-2,5-dimethyl-4-(nitromethylsulfonyl)benzene

Systemtic Name: 1-chloranyl-2,5-dimethyl-4-(nitromethylsulfonyl)benzene Openeye Name: 1-chloro-2,5-dimethyl-4-(nitromethylsulfonyl)benzene CAS Name: 1-chloro-2,5-dimethyl-4-(nitromethylsulfonyl)benzene IUPAC Name: 1-chloro-2,5-dimethyl-4-(nitromethylsulfonyl)benzene Traditional Name: 1-chloro-2,5-dimethyl-4-(nitromethylsulfonyl)benzene Formula: C9H10ClNO4S MolecularWeight: 263.698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)C[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)C[N+](=O)[O-]

InChI

InChI=1S/C9H10ClNO4S/c1-6-4-9(7(2)3-8(6)10)16(14,15)5-11(12)13/h3-4H,5H2,1-2H3