tetrasodium [4-[cyclohexylidene-(4-phosphonatooxyphenyl)methyl]phenyl] phosphate

Systemtic Name: tetrasodium [4-[cyclohexylidene-(4-phosphonatooxyphenyl)methyl]phenyl] phosphate Openeye Name: tetrasodium [4-[cyclohexylidene-(4-phosphonatooxyphenyl)methyl]phenyl] phosphate CAS Name: tetrasodium [4-[cyclohexylidene-(4-phosphonatooxyphenyl)methyl]phenyl] phosphate IUPAC Name: tetrasodium [4-[cyclohexylidene-(4-phosphonatooxyphenyl)methyl]phenyl] phosphate Traditional Name: tetrasodium [4-[cyclohexylidene-(4-phosphatophenyl)methyl]phenyl] phosphate Formula: C19H18Na4O8P2 MolecularWeight: 528.248022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C2=CC=C(C=C2)OP(=O)([O-])[O-])C3=CC=C(C=C3)OP(=O)([O-])[O-])CC1.[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1CCC(=C(C2=CC=C(C=C2)OP(=O)([O-])[O-])C3=CC=C(C=C3)OP(=O)([O-])[O-])CC1.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C19H22O8P2.4Na/c20-28(21,22)26-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)16-8-12-18(13-9-16)27-29(23,24)25;;;;/h6-13H,1-5H2,(H2,20,21,22)(H2,23,24,25);;;;/q;4*+1/p-4