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

Systemtic Name: 2-methyl-5-(4-methyl-2-nitro-phenyl)-1,2-oxazol-3-one; 1-(sulfinoamino)octadecane Openeye Name: 2-methyl-5-(4-methyl-2-nitro-phenyl)isoxazol-3-one; 1-(sulfinoamino)octadecane CAS Name: 2-methyl-5-(4-methyl-2-nitrophenyl)-3-isoxazolone; 1-(sulfinoamino)octadecane IUPAC Name: 2-methyl-5-(4-methyl-2-nitrophenyl)-1,2-oxazol-3-one; 1-(sulfinoamino)octadecane Traditional Name: 2-methyl-5-(4-methyl-2-nitro-phenyl)-4-isoxazolin-3-one; 1-(sulfinoamino)octadecane Formula: C29H49N3O6S MolecularWeight: 567.78086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H39NO2S.C11H10N2O4/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(9(5-7)13(15)16)10-6-11(14)12(2)17-10/h19H,2-18H2,1H3,(H,20,21);3-6H,1-2H3