calcium; disodium; 2-acetyloxyethyl ethanoate; azane; ethanol; tetraethanoate

Systemtic Name: calcium; disodium; 2-acetyloxyethyl ethanoate; azane; ethanol; tetraethanoate Openeye Name: calcium; disodium; 2-acetoxyethyl acetate; ammonia; ethanol; tetraacetate CAS Name: calcium; disodium; acetic acid 2-acetyloxyethyl ester; ammonia; ethanol; tetraacetate IUPAC Name: calcium; disodium; 2-acetyloxyethyl acetate; azane; ethanol; tetraacetate Traditional Name: calcium; disodium; acetic acid 2-acetoxyethyl ester; ammonia; ethanol; tetraacetate Formula: C22H50CaN4Na2O17 MolecularWeight: 728.70654

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)OCCOC(=O)C.CC(=O)OCCOC(=O)C.N.N.N.N.[Na+].[Na+].[Ca+2]

Isomeric SMILES

CCO.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)OCCOC(=O)C.CC(=O)OCCOC(=O)C.N.N.N.N.[Na+].[Na+].[Ca+2]

InChI

InChI=1S/2C6H10O4.4C2H4O2.C2H6O.Ca.4H3N.2Na/c2*1-5(7)9-3-4-10-6(2)8;4*1-2(3)4;1-2-3;;;;;;;/h2*3-4H2,1-2H3;4*1H3,(H,3,4);3H,2H2,1H3;;4*1H3;;/q;;;;;;;+2;;;;;2*+1/p-4