bis[2-[4-methyl-3-[(4-nitrophenyl)methyl]-1,3-thiazol-3-ium-5-yl]ethyl] hexanedioate dibromide

Systemtic Name: bis[2-[4-methyl-3-[(4-nitrophenyl)methyl]-1,3-thiazol-3-ium-5-yl]ethyl] hexanedioate dibromide Openeye Name: bis[2-[4-methyl-3-[(4-nitrophenyl)methyl]thiazol-3-ium-5-yl]ethyl] hexanedioate dibromide CAS Name: hexanedioic acid bis[2-[4-methyl-3-[(4-nitrophenyl)methyl]-5-thiazol-3-iumyl]ethyl] ester dibromide IUPAC Name: bis[2-[4-methyl-3-[(4-nitrophenyl)methyl]-1,3-thiazol-3-ium-5-yl]ethyl] hexanedioate dibromide Traditional Name: adipic acid bis[2-[4-methyl-3-(4-nitrobenzyl)thiazol-3-ium-5-yl]ethyl] ester dibromide Formula: C32H36Br2N4O8S2 MolecularWeight: 828.58824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H36N4O8S2.2BrH/c1-23-29(45-21-33(23)19-25-7-11-27(12-8-25)35(39)40)15-17-43-31(37)5-3-4-6-32(38)44-18-16-30-24(2)34(22-46-30)20-26-9-13-28(14-10-26)36(41)42;;/h7-14,21-22H,3-6,15-20H2,1-2H3;2*1H/q+2;;/p-2