disodium 2-oxidanyltridecane-1,2,3-tricarboxylate

Systemtic Name: disodium 2-oxidanyltridecane-1,2,3-tricarboxylate Openeye Name: disodium 2-hydroxytridecane-1,2,3-tricarboxylate CAS Name: disodium 2-hydroxytridecane-1,2,3-tricarboxylate IUPAC Name: disodium 2-hydroxytridecane-1,2,3-tricarboxylate Traditional Name: disodium 2-hydroxytridecane-1,2,3-tricarboxylate Formula: C16H25Na2O7- MolecularWeight: 375.34504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28O7.2Na/c1-2-3-4-5-6-7-8-9-10-12(14(19)20)16(23,15(21)22)11-13(17)18;;/h12,23H,2-11H2,1H3,(H,17,18)(H,19,20)(H,21,22);;/q;2*+1/p-3