sodium 6-[3,5-bis(oxidanyl)-2-(3-oxidanyl-5-phenoxy-pentyl)cyclopentyl]hexyl-methyl-phosphinate

Systemtic Name: sodium 6-[3,5-bis(oxidanyl)-2-(3-oxidanyl-5-phenoxy-pentyl)cyclopentyl]hexyl-methyl-phosphinate Openeye Name: sodium 6-[3,5-dihydroxy-2-(3-hydroxy-5-phenoxy-pentyl)cyclopentyl]hexyl-methyl-phosphinate CAS Name: sodium 6-[3,5-dihydroxy-2-(3-hydroxy-5-phenoxypentyl)cyclopentyl]hexyl-methylphosphinate IUPAC Name: sodium 6-[3,5-dihydroxy-2-(3-hydroxy-5-phenoxypentyl)cyclopentyl]hexyl-methylphosphinate Traditional Name: sodium 6-[3,5-dihydroxy-2-(3-hydroxy-5-phenoxy-pentyl)cyclopentyl]hexyl-methyl-phosphinate Formula: C23H38NaO6P MolecularWeight: 464.507751

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Descriptors Computed from Structure

Canonical SMILES:

CP(=O)(CCCCCCC1C(CC(C1CCC(CCOC2=CC=CC=C2)O)O)O)[O-].[Na+]

Isomeric SMILES

CP(=O)(CCCCCCC1C(CC(C1CCC(CCOC2=CC=CC=C2)O)O)O)[O-].[Na+]

InChI

InChI=1S/C23H39O6P.Na/c1-30(27,28)16-8-3-2-7-11-20-21(23(26)17-22(20)25)13-12-18(24)14-15-29-19-9-5-4-6-10-19;/h4-6,9-10,18,20-26H,2-3,7-8,11-17H2,1H3,(H,27,28);/q;+1/p-1