1-(4-methoxyphenyl)-3-methyl-5,7-dinitro-isochromenylium perchlorate

Systemtic Name: 1-(4-methoxyphenyl)-3-methyl-5,7-dinitro-isochromenylium perchlorate Openeye Name: 1-(4-methoxyphenyl)-3-methyl-5,7-dinitro-isochromenylium perchlorate CAS Name: 1-(4-methoxyphenyl)-3-methyl-5,7-dinitro-2-benzopyrylium perchlorate IUPAC Name: 1-(4-methoxyphenyl)-3-methyl-5,7-dinitroisochromenylium perchlorate Traditional Name: 1-(4-methoxyphenyl)-3-methyl-5,7-dinitro-2-benzopyrylium perchlorate Formula: C17H13ClN2O10 MolecularWeight: 440.74552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C(C=C2C(=[O+]1)C3=CC=C(C=C3)OC)[N+](=O)[O-])[N+](=O)[O-].[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC2=C(C=C(C=C2C(=[O+]1)C3=CC=C(C=C3)OC)[N+](=O)[O-])[N+](=O)[O-].[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C17H13N2O6.ClHO4/c1-10-7-14-15(8-12(18(20)21)9-16(14)19(22)23)17(25-10)11-3-5-13(24-2)6-4-11;2-1(3,4)5/h3-9H,1-2H3;(H,2,3,4,5)/q+1;/p-1