tetrasodium [4-[4-(4-phosphonatooxyphenyl)hexan-3-yl]phenyl] phosphate

Systemtic Name: tetrasodium [4-[4-(4-phosphonatooxyphenyl)hexan-3-yl]phenyl] phosphate Openeye Name: tetrasodium [4-[1-ethyl-2-(4-phosphonatooxyphenyl)butyl]phenyl] phosphate CAS Name: tetrasodium [4-[4-(4-phosphonatooxyphenyl)hexan-3-yl]phenyl] phosphate IUPAC Name: tetrasodium [4-[4-(4-phosphonatooxyphenyl)hexan-3-yl]phenyl] phosphate Traditional Name: tetrasodium [4-[1-ethyl-2-(4-phosphatophenyl)butyl]phenyl] phosphate Formula: C18H20Na4O8P2 MolecularWeight: 518.253202

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)OP(=O)([O-])[O-])C(CC)C2=CC=C(C=C2)OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CCC(C1=CC=C(C=C1)OP(=O)([O-])[O-])C(CC)C2=CC=C(C=C2)OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C18H24O8P2.4Na/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24;;;;/h5-12,17-18H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24);;;;/q;4*+1/p-4