[4-[1-(4-phosphonooxyphenyl)cyclohexyl]phenyl] dihydrogen phosphate; sodium

Systemtic Name: [4-[1-(4-phosphonooxyphenyl)cyclohexyl]phenyl] dihydrogen phosphate; sodium Openeye Name: [4-[1-(4-phosphonooxyphenyl)cyclohexyl]phenyl] dihydrogen phosphate; sodium CAS Name: [4-[1-(4-phosphonooxyphenyl)cyclohexyl]phenyl] dihydrogen phosphate; sodium IUPAC Name: [4-[1-(4-phosphonooxyphenyl)cyclohexyl]phenyl] dihydrogen phosphate; sodium Traditional Name: [4-[1-(4-phosphonooxyphenyl)cyclohexyl]phenyl] dihydrogen phosphate; sodium Formula: C18H22NaO8P2 MolecularWeight: 451.299772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O8P2.Na/c19-27(20,21)25-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(11-7-15)26-28(22,23)24;/h4-11H,1-3,12-13H2,(H2,19,20,21)(H2,22,23,24);