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

Systemtic Name: 4-[(4-azanylphenoxy)methyl]-5-tert-butyl-2-(4-methyl-2-nitro-phenyl)-1,2-oxazol-3-one; 1-(sulfinoamino)octadecane Openeye Name: 4-[(4-aminophenoxy)methyl]-5-tert-butyl-2-(4-methyl-2-nitro-phenyl)isoxazol-3-one; 1-(sulfinoamino)octadecane CAS Name: 4-[(4-aminophenoxy)methyl]-5-tert-butyl-2-(4-methyl-2-nitrophenyl)-3-isoxazolone; 1-(sulfinoamino)octadecane IUPAC Name: 4-[(4-aminophenoxy)methyl]-5-tert-butyl-2-(4-methyl-2-nitrophenyl)-1,2-oxazol-3-one; 1-(sulfinoamino)octadecane Traditional Name: 4-[(4-aminophenoxy)methyl]-5-tert-butyl-2-(4-methyl-2-nitro-phenyl)-4-isoxazolin-3-one; 1-(sulfinoamino)octadecane Formula: C39H62N4O7S MolecularWeight: 730.99718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNS(=O)O.CC1=CC(=C(C=C1)N2C(=O)C(=C(O2)C(C)(C)C)COC3=CC=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNS(=O)O.CC1=CC(=C(C=C1)N2C(=O)C(=C(O2)C(C)(C)C)COC3=CC=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5.C18H39NO2S/c1-13-5-10-17(18(11-13)24(26)27)23-20(25)16(19(29-23)21(2,3)4)12-28-15-8-6-14(22)7-9-15;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(20)21/h5-11H,12,22H2,1-4H3;19H,2-18H2,1H3,(H,20,21)