trisodium 5-hexyl-4-oxidanylidene-cyclopentane-1,1,3-tricarboxylate

Systemtic Name: trisodium 5-hexyl-4-oxidanylidene-cyclopentane-1,1,3-tricarboxylate Openeye Name: trisodium 5-hexyl-4-oxo-cyclopentane-1,1,3-tricarboxylate CAS Name: trisodium 5-hexyl-4-oxocyclopentane-1,1,3-tricarboxylate IUPAC Name: trisodium 5-hexyl-4-oxocyclopentane-1,1,3-tricarboxylate Traditional Name: trisodium 5-hexyl-4-keto-cyclopentane-1,1,3-tricarboxylate Formula: C14H17Na3O7 MolecularWeight: 366.24989

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(=O)C(CC1(C(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCCC1C(=O)C(CC1(C(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C14H20O7.3Na/c1-2-3-4-5-6-9-10(15)8(11(16)17)7-14(9,12(18)19)13(20)21;;;/h8-9H,2-7H2,1H3,(H,16,17)(H,18,19)(H,20,21);;;/q;3*+1/p-3