trisodium 3,4-bis(azanyl)butan-1-ol dodecaethanoate

Systemtic Name: trisodium 3,4-bis(azanyl)butan-1-ol dodecaethanoate Openeye Name: trisodium 3,4-diaminobutan-1-ol dodecaacetate CAS Name: trisodium 3,4-diamino-1-butanol dodecaacetate IUPAC Name: trisodium 3,4-diaminobutan-1-ol dodecaacetate Traditional Name: trisodium 3,4-diaminobutan-1-ol dodecaacetate Formula: C36H72N6Na3O27-9 MolecularWeight: 1089.95019

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

Isomeric SMILES

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

InChI

InChI=1S/3C4H12N2O.12C2H4O2.3Na/c3*5-3-4(6)1-2-7;12*1-2(3)4;;;/h3*4,7H,1-3,5-6H2;12*1H3,(H,3,4);;;/q;;;;;;;;;;;;;;;3*+1/p-12