tetrasodium (2,12-dimethyl-12-phosphonatooxy-tridecan-2-yl) phosphate

Systemtic Name: tetrasodium (2,12-dimethyl-12-phosphonatooxy-tridecan-2-yl) phosphate Openeye Name: tetrasodium (1,1,11-trimethyl-11-phosphonatooxy-dodecyl) phosphate CAS Name: tetrasodium (2,12-dimethyl-12-phosphonatooxytridecan-2-yl) phosphate IUPAC Name: tetrasodium (2,12-dimethyl-12-phosphonatooxytridecan-2-yl) phosphate Traditional Name: tetrasodium (1,1,11-trimethyl-11-phosphato-dodecyl) phosphate Formula: C15H30Na4O8P2 MolecularWeight: 492.300502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H34O8P2.4Na/c1-14(2,22-24(16,17)18)12-10-8-6-5-7-9-11-13-15(3,4)23-25(19,20)21;;;;/h5-13H2,1-4H3,(H2,16,17,18)(H2,19,20,21);;;;/q;4*+1/p-4