disodium 2-(carboxymethyl)-2-oxidanyl-3-(12-oxidanyl-12-oxidanylidene-dodecan-6-yl)butanedioate

Systemtic Name: disodium 2-(carboxymethyl)-2-oxidanyl-3-(12-oxidanyl-12-oxidanylidene-dodecan-6-yl)butanedioate Openeye Name: disodium 2-(carboxymethyl)-2-hydroxy-3-(7-hydroxy-7-oxo-1-pentyl-heptyl)butanedioate CAS Name: disodium 2-(carboxymethyl)-2-hydroxy-3-(12-hydroxy-12-oxododecan-6-yl)butanedioate IUPAC Name: disodium 2-(carboxymethyl)-2-hydroxy-3-(12-hydroxy-12-oxododecan-6-yl)butanedioate Traditional Name: disodium 3-(1-amyl-7-hydroxy-7-keto-heptyl)-2-(carboxymethyl)-2-hydroxy-succinate Formula: C18H28Na2O9 MolecularWeight: 434.38906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30O9.2Na/c1-2-3-5-8-12(9-6-4-7-10-13(19)20)15(16(23)24)18(27,17(25)26)11-14(21)22;;/h12,15,27H,2-11H2,1H3,(H,19,20)(H,21,22)(H,23,24)(H,25,26);;/q;2*+1/p-2