4-[2,6-bis(chloranyl)-4-nitro-phenoxy]-2-methylsulfonyl-phenol; cyclopropane

Systemtic Name: 4-[2,6-bis(chloranyl)-4-nitro-phenoxy]-2-methylsulfonyl-phenol; cyclopropane Openeye Name: cyclopropane; 4-(2,6-dichloro-4-nitro-phenoxy)-2-methylsulfonyl-phenol CAS Name: cyclopropane; 4-(2,6-dichloro-4-nitrophenoxy)-2-methylsulfonylphenol IUPAC Name: cyclopropane; 4-(2,6-dichloro-4-nitrophenoxy)-2-methylsulfonylphenol Traditional Name: cyclopropane; 4-(2,6-dichloro-4-nitro-phenoxy)-2-mesyl-phenol Formula: C16H15Cl2NO6S MolecularWeight: 420.2644

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl)O.C1CC1

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl)O.C1CC1

InChI

InChI=1S/C13H9Cl2NO6S.C3H6/c1-23(20,21)12-6-8(2-3-11(12)17)22-13-9(14)4-7(16(18)19)5-10(13)15;1-2-3-1/h2-6,17H,1H3;1-3H2