cyclopropane; 4-(2,6-dimethyl-4-nitro-phenoxy)-2-methylsulfonyl-phenol

Systemtic Name: cyclopropane; 4-(2,6-dimethyl-4-nitro-phenoxy)-2-methylsulfonyl-phenol Openeye Name: cyclopropane; 4-(2,6-dimethyl-4-nitro-phenoxy)-2-methylsulfonyl-phenol CAS Name: cyclopropane; 4-(2,6-dimethyl-4-nitrophenoxy)-2-methylsulfonylphenol IUPAC Name: cyclopropane; 4-(2,6-dimethyl-4-nitrophenoxy)-2-methylsulfonylphenol Traditional Name: cyclopropane; 4-(2,6-dimethyl-4-nitro-phenoxy)-2-mesyl-phenol Formula: C18H21NO6S MolecularWeight: 379.42744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)C)C)[N+](=O)[O-].C1CC1

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)C)C)[N+](=O)[O-].C1CC1

InChI

InChI=1S/C15H15NO6S.C3H6/c1-9-6-11(16(18)19)7-10(2)15(9)22-12-4-5-13(17)14(8-12)23(3,20)21;1-2-3-1/h4-8,17H,1-3H3;1-3H2