4-(methoxymethyl)-5-methyl-2-(2-methyl-7-nitro-2-octadecyl-1-oxidanylidene-2-azoniaspiro[2.5]octa-5,7-dien-6-yl)-1,2-oxazol-3-one

Systemtic Name: 4-(methoxymethyl)-5-methyl-2-(2-methyl-7-nitro-2-octadecyl-1-oxidanylidene-2-azoniaspiro[2.5]octa-5,7-dien-6-yl)-1,2-oxazol-3-one Openeye Name: 4-(methoxymethyl)-5-methyl-2-(2-methyl-7-nitro-2-octadecyl-1-oxo-2-azoniaspiro[2.5]octa-5,7-dien-6-yl)isoxazol-3-one CAS Name: 4-(methoxymethyl)-5-methyl-2-(2-methyl-7-nitro-2-octadecyl-1-oxo-2-azoniaspiro[2.5]octa-5,7-dien-6-yl)-3-isoxazolone IUPAC Name: 4-(methoxymethyl)-5-methyl-2-(2-methyl-7-nitro-2-octadecyl-1-oxo-2-azoniaspiro[2.5]octa-5,7-dien-6-yl)-1,2-oxazol-3-one Traditional Name: 2-(1-keto-2-methyl-7-nitro-2-stearyl-2-azoniaspiro[2.5]octa-5,7-dien-6-yl)-4-(methoxymethyl)-5-methyl-4-isoxazolin-3-one Formula: C32H52N3O6+ MolecularWeight: 574.77178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1(C(=O)C12CC=C(C(=C2)[N+](=O)[O-])N3C(=O)C(=C(O3)C)COC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1(C(=O)C12CC=C(C(=C2)[N+](=O)[O-])N3C(=O)C(=C(O3)C)COC)C

InChI

InChI=1S/C32H52N3O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-35(3)31(37)32(35)22-21-28(29(24-32)34(38)39)33-30(36)27(25-40-4)26(2)41-33/h21,24H,5-20,22-23,25H2,1-4H3/q+1