bis[2-[3-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl] hexanedioate

Systemtic Name: bis[2-[3-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl] hexanedioate Openeye Name: bis[2-[3-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl] hexanedioate CAS Name: hexanedioic acid bis[2-[3-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethyl] ester IUPAC Name: bis[2-[3-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl] hexanedioate Traditional Name: adipic acid bis[2-[3-(4,5-dimethoxy-2-nitro-benzyl)-4-methyl-thiazol-3-ium-5-yl]ethyl] ester Formula: C36H44N4O12S2+2 MolecularWeight: 788.88416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)CCOC(=O)CCCCC(=O)OCCC3=C([N+](=CS3)CC4=CC(=C(C=C4[N+](=O)[O-])OC)OC)C

Isomeric SMILES

CC1=C(SC=[N+]1CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)CCOC(=O)CCCCC(=O)OCCC3=C([N+](=CS3)CC4=CC(=C(C=C4[N+](=O)[O-])OC)OC)C

InChI

InChI=1S/C36H44N4O12S2/c1-23-33(53-21-37(23)19-25-15-29(47-3)31(49-5)17-27(25)39(43)44)11-13-51-35(41)9-7-8-10-36(42)52-14-12-34-24(2)38(22-54-34)20-26-16-30(48-4)32(50-6)18-28(26)40(45)46/h15-18,21-22H,7-14,19-20H2,1-6H3/q+2