2,3-bis(oxidanyl)butanedioate; 4-(3-ethylphenyl)butyl-hexyl-(3-methylheptyl)-propyl-azanium

Systemtic Name: 2,3-bis(oxidanyl)butanedioate; 4-(3-ethylphenyl)butyl-hexyl-(3-methylheptyl)-propyl-azanium Openeye Name: 2,3-dihydroxybutanedioate; 4-(3-ethylphenyl)butyl-hexyl-(3-methylheptyl)-propyl-ammonium CAS Name: 2,3-dihydroxybutanedioate; 4-(3-ethylphenyl)butyl-hexyl-(3-methylheptyl)-propylammonium IUPAC Name: 2,3-dihydroxybutanedioate; 4-(3-ethylphenyl)butyl-hexyl-(3-methylheptyl)-propylazanium Traditional Name: 4-(3-ethylphenyl)butyl-hexyl-(3-methylheptyl)-propyl-ammonium tartrate Formula: C62H112N2O6 MolecularWeight: 981.56248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](CCC)(CCCCC1=CC=CC(=C1)CC)CCC(C)CCCC.CCCCCC[N+](CCC)(CCCCC1=CC=CC(=C1)CC)CCC(C)CCCC.C(C(C(=O)[O-])O)(C(=O)[O-])O

Isomeric SMILES

CCCCCC[N+](CCC)(CCCCC1=CC=CC(=C1)CC)CCC(C)CCCC.CCCCCC[N+](CCC)(CCCCC1=CC=CC(=C1)CC)CCC(C)CCCC.C(C(C(=O)[O-])O)(C(=O)[O-])O

InChI

InChI=1S/2C29H54N.C4H6O6/c2*1-6-10-12-14-23-30(22-8-3,25-21-27(5)17-11-7-2)24-15-13-18-29-20-16-19-28(9-4)26-29;5-1(3(7)8)2(6)4(9)10/h2*16,19-20,26-27H,6-15,17-18,21-25H2,1-5H3;1-2,5-6H,(H,7,8)(H,9,10)/q2*+1;/p-2