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2-[bis(2-hydroxyethyl)amino]ethanol; 2-nitrooctanedioic acid

2-[bis(2-hydroxyethyl)amino]ethanol; 2-nitrooctanedioic acid

Systemtic Name:2-[bis(2-hydroxyethyl)amino]ethanol; 2-nitrooctanedioic acid
Openeye Name:2-[bis(2-hydroxyethyl)amino]ethanol; 2-nitrooctanedioic acid
CAS Name:2-[bis(2-hydroxyethyl)amino]ethanol; 2-nitrooctanedioic acid
IUPAC Name:2-[bis(2-hydroxyethyl)amino]ethanol; 2-nitrooctanedioic acid
Traditional Name:2-[bis(2-hydroxyethyl)amino]ethanol; 2-nitrosuberic acid
Formula: C20H43N3O12
MolecularWeight: 517.56832
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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(C(=O)O)[N+](=O)[O-])CCC(=O)O.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO


Isomeric SMILES

C(CCC(C(=O)O)[N+](=O)[O-])CCC(=O)O.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO


InChI

InChI=1S/C8H13NO6.2C6H15NO3/c10-7(11)5-3-1-2-4-6(8(12)13)9(14)15;2*8-4-1-7(2-5-9)3-6-10/h6H,1-5H2,(H,10,11)(H,12,13);2*8-10H,1-6H2


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