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

Systemtic Name: 4-[(4-azanylphenoxy)methyl]-2-methyl-5-(4-methyl-2-nitro-phenyl)-1,2-oxazol-3-one; 1-(sulfinoamino)octadecane Openeye Name: 4-[(4-aminophenoxy)methyl]-2-methyl-5-(4-methyl-2-nitro-phenyl)isoxazol-3-one; 1-(sulfinoamino)octadecane CAS Name: 4-[(4-aminophenoxy)methyl]-2-methyl-5-(4-methyl-2-nitrophenyl)-3-isoxazolone; 1-(sulfinoamino)octadecane IUPAC Name: 4-[(4-aminophenoxy)methyl]-2-methyl-5-(4-methyl-2-nitrophenyl)-1,2-oxazol-3-one; 1-(sulfinoamino)octadecane Traditional Name: 4-[(4-aminophenoxy)methyl]-2-methyl-5-(4-methyl-2-nitro-phenyl)-4-isoxazolin-3-one; 1-(sulfinoamino)octadecane Formula: C36H56N4O7S MolecularWeight: 688.91744

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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)COC3=CC=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNS(=O)O.CC1=CC(=C(C=C1)C2=C(C(=O)N(O2)C)COC3=CC=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5.C18H39NO2S/c1-11-3-8-14(16(9-11)21(23)24)17-15(18(22)20(2)26-17)10-25-13-6-4-12(19)5-7-13;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(20)21/h3-9H,10,19H2,1-2H3;19H,2-18H2,1H3,(H,20,21)