4-(chloromethyl)-2-methyl-5-(4-methyl-2-nitro-phenyl)-1,2-oxazol-3-one; 1-(sulfinoamino)octadecane

Systemtic Name: 4-(chloromethyl)-2-methyl-5-(4-methyl-2-nitro-phenyl)-1,2-oxazol-3-one; 1-(sulfinoamino)octadecane Openeye Name: 4-(chloromethyl)-2-methyl-5-(4-methyl-2-nitro-phenyl)isoxazol-3-one; 1-(sulfinoamino)octadecane CAS Name: 4-(chloromethyl)-2-methyl-5-(4-methyl-2-nitrophenyl)-3-isoxazolone; 1-(sulfinoamino)octadecane IUPAC Name: 4-(chloromethyl)-2-methyl-5-(4-methyl-2-nitrophenyl)-1,2-oxazol-3-one; 1-(sulfinoamino)octadecane Traditional Name: 4-(chloromethyl)-2-methyl-5-(4-methyl-2-nitro-phenyl)-4-isoxazolin-3-one; 1-(sulfinoamino)octadecane Formula: C30H50ClN3O6S MolecularWeight: 616.2525

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNS(=O)O.CC1=CC(=C(C=C1)C2=C(C(=O)N(O2)C)CCl)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNS(=O)O.CC1=CC(=C(C=C1)C2=C(C(=O)N(O2)C)CCl)[N+](=O)[O-]

InChI

InChI=1S/C18H39NO2S.C12H11ClN2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(20)21;1-7-3-4-8(10(5-7)15(17)18)11-9(6-13)12(16)14(2)19-11/h19H,2-18H2,1H3,(H,20,21);3-5H,6H2,1-2H3