2,3-bis(oxidanyl)butanedioate; methyl-[4-(4-nitrophenyl)butyl]-pentyl-azanium

Systemtic Name: 2,3-bis(oxidanyl)butanedioate; methyl-[4-(4-nitrophenyl)butyl]-pentyl-azanium Openeye Name: 2,3-dihydroxybutanedioate; methyl-[4-(4-nitrophenyl)butyl]-pentyl-ammonium CAS Name: 2,3-dihydroxybutanedioate; methyl-[4-(4-nitrophenyl)butyl]-pentylammonium IUPAC Name: 2,3-dihydroxybutanedioate; methyl-[4-(4-nitrophenyl)butyl]-pentylazanium Traditional Name: amyl-methyl-[4-(4-nitrophenyl)butyl]ammonium tartrate Formula: C36H58N4O10 MolecularWeight: 706.86652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH+](C)CCCCC1=CC=C(C=C1)[N+](=O)[O-].CCCCC[NH+](C)CCCCC1=CC=C(C=C1)[N+](=O)[O-].C(C(C(=O)[O-])O)(C(=O)[O-])O

Isomeric SMILES

CCCCC[NH+](C)CCCCC1=CC=C(C=C1)[N+](=O)[O-].CCCCC[NH+](C)CCCCC1=CC=C(C=C1)[N+](=O)[O-].C(C(C(=O)[O-])O)(C(=O)[O-])O

InChI

InChI=1S/2C16H26N2O2.C4H6O6/c2*1-3-4-6-13-17(2)14-7-5-8-15-9-11-16(12-10-15)18(19)20;5-1(3(7)8)2(6)4(9)10/h2*9-12H,3-8,13-14H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)