nitro 4-[2,4-bis(chloranyl)-5-nitro-phenyl]-2-methyl-benzenesulfonate

Systemtic Name: nitro 4-[2,4-bis(chloranyl)-5-nitro-phenyl]-2-methyl-benzenesulfonate Openeye Name: nitro 4-(2,4-dichloro-5-nitro-phenyl)-2-methyl-benzenesulfonate CAS Name: 4-(2,4-dichloro-5-nitrophenyl)-2-methylbenzenesulfonic acid nitro ester IUPAC Name: nitro 4-(2,4-dichloro-5-nitrophenyl)-2-methylbenzenesulfonate Traditional Name: 4-(2,4-dichloro-5-nitro-phenyl)-2-methyl-benzenesulfonic acid nitro ester Formula: C13H8Cl2N2O7S MolecularWeight: 407.18282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=C(C=C2Cl)Cl)[N+](=O)[O-])S(=O)(=O)O[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=C(C=C2Cl)Cl)[N+](=O)[O-])S(=O)(=O)O[N+](=O)[O-]

InChI

InChI=1S/C13H8Cl2N2O7S/c1-7-4-8(2-3-13(7)25(22,23)24-17(20)21)9-5-12(16(18)19)11(15)6-10(9)14/h2-6H,1H3