[4-[cyclohexylidene-(4-phosphonooxyphenyl)methyl]phenyl] dihydrogen phosphate; sodium

Systemtic Name: [4-[cyclohexylidene-(4-phosphonooxyphenyl)methyl]phenyl] dihydrogen phosphate; sodium Openeye Name: [4-[cyclohexylidene-(4-phosphonooxyphenyl)methyl]phenyl] dihydrogen phosphate; sodium CAS Name: [4-[cyclohexylidene-(4-phosphonooxyphenyl)methyl]phenyl] dihydrogen phosphate; sodium IUPAC Name: [4-[cyclohexylidene-(4-phosphonooxyphenyl)methyl]phenyl] dihydrogen phosphate; sodium Traditional Name: [4-[cyclohexylidene-(4-phosphonooxyphenyl)methyl]phenyl] dihydrogen phosphate; sodium Formula: C19H22NaO8P2 MolecularWeight: 463.310472

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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]

Isomeric SMILES

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

InChI

InChI=1S/C19H22O8P2.Na/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);