1-(2,4-dinitrophenyl)-3-methoxy-pyridin-1-ium; dodecane-1-sulfonate

Systemtic Name: 1-(2,4-dinitrophenyl)-3-methoxy-pyridin-1-ium; dodecane-1-sulfonate Openeye Name: 1-(2,4-dinitrophenyl)-3-methoxy-pyridin-1-ium; dodecane-1-sulfonate CAS Name: 1-(2,4-dinitrophenyl)-3-methoxypyridin-1-ium; 1-dodecanesulfonate IUPAC Name: 1-(2,4-dinitrophenyl)-3-methoxypyridin-1-ium; dodecane-1-sulfonate Traditional Name: 1-(2,4-dinitrophenyl)-3-methoxy-pyridin-1-ium; dodecane-1-sulfonate Formula: C24H35N3O8S MolecularWeight: 525.615

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)[O-].COC1=C[N+](=CC=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)[O-].COC1=C[N+](=CC=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H10N3O5.C12H26O3S/c1-20-10-3-2-6-13(8-10)11-5-4-9(14(16)17)7-12(11)15(18)19;1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-8H,1H3;2-12H2,1H3,(H,13,14,15)/q+1;/p-1