disodium 2-oxidanylpentadecane-1,2,3-tricarboxylate

Systemtic Name: disodium 2-oxidanylpentadecane-1,2,3-tricarboxylate Openeye Name: disodium 2-hydroxypentadecane-1,2,3-tricarboxylate CAS Name: disodium 2-hydroxypentadecane-1,2,3-tricarboxylate IUPAC Name: disodium 2-hydroxypentadecane-1,2,3-tricarboxylate Traditional Name: disodium 2-hydroxypentadecane-1,2,3-tricarboxylate Formula: C18H29Na2O7- MolecularWeight: 403.3982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32O7.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(21)22)18(25,17(23)24)13-15(19)20;;/h14,25H,2-13H2,1H3,(H,19,20)(H,21,22)(H,23,24);;/q;2*+1/p-3