octasodium 2-nonylpropanedioate

Systemtic Name: octasodium 2-nonylpropanedioate Openeye Name: octasodium 2-nonylpropanedioate CAS Name: octasodium 2-nonylpropanedioate IUPAC Name: octasodium 2-nonylpropanedioate Traditional Name: octasodium 2-nonylmalonate Formula: C48H80Na8O16 MolecularWeight: 1097.05736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C(=O)[O-])C(=O)[O-].CCCCCCCCCC(C(=O)[O-])C(=O)[O-].CCCCCCCCCC(C(=O)[O-])C(=O)[O-].CCCCCCCCCC(C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCC(C(=O)[O-])C(=O)[O-].CCCCCCCCCC(C(=O)[O-])C(=O)[O-].CCCCCCCCCC(C(=O)[O-])C(=O)[O-].CCCCCCCCCC(C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/4C12H22O4.8Na/c4*1-2-3-4-5-6-7-8-9-10(11(13)14)12(15)16;;;;;;;;/h4*10H,2-9H2,1H3,(H,13,14)(H,15,16);;;;;;;;/q;;;;8*+1/p-8