sodium; 3-butylphthalic acid; 2-oxidanylpropane-1,2,3-tricarboxylic acid; hydroxide

Systemtic Name: sodium; 3-butylphthalic acid; 2-oxidanylpropane-1,2,3-tricarboxylic acid; hydroxide Openeye Name: sodium; 3-butylphthalic acid; citric acid; hydroxide CAS Name: sodium; 3-butylphthalic acid; 2-hydroxypropane-1,2,3-tricarboxylic acid; hydroxide IUPAC Name: sodium; 3-butylphthalic acid; 2-hydroxypropane-1,2,3-tricarboxylic acid; hydroxide Traditional Name: sodium; 3-butylphthalic acid; citric acid; hydroxide Formula: C18H23NaO12 MolecularWeight: 454.35779

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1C(=O)O)C(=O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[OH-].[Na+]

Isomeric SMILES

CCCCC1=CC=CC(=C1C(=O)O)C(=O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[OH-].[Na+]

InChI

InChI=1S/C12H14O4.C6H8O7.Na.H2O/c1-2-3-5-8-6-4-7-9(11(13)14)10(8)12(15)16;7-3(8)1-6(13,5(11)12)2-4(9)10;;/h4,6-7H,2-3,5H2,1H3,(H,13,14)(H,15,16);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;1H2/q;;+1;/p-1