(4-ethoxycarbonyl-6-fluorosulfonyl-6-methyl-cyclohexa-2,4-dien-1-yl)-(3-ethoxycarbonyl-5-nitro-thiophen-2-yl)imino-ethyl-azanium

Systemtic Name: (4-ethoxycarbonyl-6-fluorosulfonyl-6-methyl-cyclohexa-2,4-dien-1-yl)-(3-ethoxycarbonyl-5-nitro-thiophen-2-yl)imino-ethyl-azanium Openeye Name: (4-ethoxycarbonyl-6-fluorosulfonyl-6-methyl-cyclohexa-2,4-dien-1-yl)-[(3-ethoxycarbonyl-5-nitro-2-thienyl)imino]-ethyl-ammonium CAS Name: (4-ethoxycarbonyl-6-fluorosulfonyl-6-methyl-1-cyclohexa-2,4-dienyl)-[(3-ethoxycarbonyl-5-nitro-2-thiophenyl)imino]-ethylammonium IUPAC Name: (4-ethoxycarbonyl-6-fluorosulfonyl-6-methylcyclohexa-2,4-dien-1-yl)-(3-ethoxycarbonyl-5-nitrothiophen-2-yl)imino-ethylazanium Traditional Name: (4-carbethoxy-6-fluorosulfonyl-6-methyl-cyclohexa-2,4-dien-1-yl)-[(3-carbethoxy-5-nitro-2-thienyl)imino]-ethyl-ammonium Formula: C19H23FN3O8S2+ MolecularWeight: 504.529623

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](=NC1=C(C=C(S1)[N+](=O)[O-])C(=O)OCC)C2C=CC(=CC2(C)S(=O)(=O)F)C(=O)OCC

Isomeric SMILES

CC[N+](=NC1=C(C=C(S1)[N+](=O)[O-])C(=O)OCC)C2C=CC(=CC2(C)S(=O)(=O)F)C(=O)OCC

InChI

InChI=1S/C19H23FN3O8S2/c1-5-22(21-16-13(18(25)31-7-3)10-15(32-16)23(26)27)14-9-8-12(17(24)30-6-2)11-19(14,4)33(20,28)29/h8-11,14H,5-7H2,1-4H3/q+1