sodium; bicyclo[2.2.0]hexa-1(4),2,5-triene; (2-ethanoylphenyl) methyl phenyl phosphate

Systemtic Name: sodium; bicyclo[2.2.0]hexa-1(4),2,5-triene; (2-ethanoylphenyl) methyl phenyl phosphate Openeye Name: sodium; (2-acetylphenyl) methyl phenyl phosphate; bicyclo[2.2.0]hexa-1(4),2,5-triene CAS Name: sodium; bicyclo[2.2.0]hexa-1(4),2,5-triene; phosphoric acid (2-acetylphenyl) methyl phenyl ester IUPAC Name: sodium; (2-acetylphenyl) methyl phenyl phosphate; bicyclo[2.2.0]hexa-1(4),2,5-triene Traditional Name: sodium; bicyclo[2.2.0]hexa-1(4),2,5-triene; phosphoric acid (2-acetylphenyl) methyl phenyl ester Formula: C21H19NaO5P+ MolecularWeight: 405.336091

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1OP(=O)(OC)OC2=CC=CC=C2.C1=CC2=C1C=C2.[Na+]

Isomeric SMILES

CC(=O)C1=CC=CC=C1OP(=O)(OC)OC2=CC=CC=C2.C1=CC2=C1C=C2.[Na+]

InChI

InChI=1S/C15H15O5P.C6H4.Na/c1-12(16)14-10-6-7-11-15(14)20-21(17,18-2)19-13-8-4-3-5-9-13;1-2-6-4-3-5(1)6;/h3-11H,1-2H3;1-4H;/q;;+1