tetrasodium; butanedioate; 3-cyclopentylpropanoate; phosphoric acid; ethanoate

Systemtic Name: tetrasodium; butanedioate; 3-cyclopentylpropanoate; phosphoric acid; ethanoate Openeye Name: tetrasodium; butanedioate; 3-cyclopentylpropanoate; phosphoric acid; acetate CAS Name: tetrasodium; butanedioate; 3-cyclopentylpropanoate; phosphoric acid; acetate IUPAC Name: tetrasodium; butanedioate; 3-cyclopentylpropanoate; phosphoric acid; acetate Traditional Name: tetrasodium; 3-cyclopentylpropionate; phosphoric acid; succinate; acetate Formula: C14H23Na4O12P MolecularWeight: 506.258061

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1CCC(C1)CCC(=O)[O-].C(CC(=O)[O-])C(=O)[O-].OP(=O)(O)O.[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC(=O)[O-].C1CCC(C1)CCC(=O)[O-].C(CC(=O)[O-])C(=O)[O-].OP(=O)(O)O.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C8H14O2.C4H6O4.C2H4O2.4Na.H3O4P/c9-8(10)6-5-7-3-1-2-4-7;5-3(6)1-2-4(7)8;1-2(3)4;;;;;1-5(2,3)4/h7H,1-6H2,(H,9,10);1-2H2,(H,5,6)(H,7,8);1H3,(H,3,4);;;;;(H3,1,2,3,4)/q;;;4*+1;/p-4