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

Systemtic Name: 2-methyl-5-(4-methylphenyl)-1,2-oxazol-3-one; 1-(sulfinoamino)octadecane Openeye Name: 2-methyl-5-(p-tolyl)isoxazol-3-one; 1-(sulfinoamino)octadecane CAS Name: 2-methyl-5-(4-methylphenyl)-3-isoxazolone; 1-(sulfinoamino)octadecane IUPAC Name: 2-methyl-5-(4-methylphenyl)-1,2-oxazol-3-one; 1-(sulfinoamino)octadecane Traditional Name: 2-methyl-5-(p-tolyl)-4-isoxazolin-3-one; 1-(sulfinoamino)octadecane Formula: C29H50N2O4S MolecularWeight: 522.7833

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNS(=O)O.CC1=CC=C(C=C1)C2=CC(=O)N(O2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNS(=O)O.CC1=CC=C(C=C1)C2=CC(=O)N(O2)C

InChI

InChI=1S/C18H39NO2S.C11H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(20)21;1-8-3-5-9(6-4-8)10-7-11(13)12(2)14-10/h19H,2-18H2,1H3,(H,20,21);3-7H,1-2H3