pentasodium N'-(2-azanylethyl)ethane-1,2-diamine pentaethanoate

Systemtic Name: pentasodium N'-(2-azanylethyl)ethane-1,2-diamine pentaethanoate Openeye Name: pentasodium N'-(2-aminoethyl)ethane-1,2-diamine pentaacetate CAS Name: pentasodium N'-(2-aminoethyl)ethane-1,2-diamine pentaacetate IUPAC Name: pentasodium N'-(2-aminoethyl)ethane-1,2-diamine pentaacetate Traditional Name: pentasodium bis(2-aminoethyl)amine pentaacetate Formula: C30H80N15Na5O10 MolecularWeight: 925.99955

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].C(CNCCN)N.C(CNCCN)N.C(CNCCN)N.C(CNCCN)N.C(CNCCN)N.[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].C(CNCCN)N.C(CNCCN)N.C(CNCCN)N.C(CNCCN)N.C(CNCCN)N.[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/5C4H13N3.5C2H4O2.5Na/c5*5-1-3-7-4-2-6;5*1-2(3)4;;;;;/h5*7H,1-6H2;5*1H3,(H,3,4);;;;;/q;;;;;;;;;;5*+1/p-5