sodium (3,3-dimethylcyclohexa-1,4-dien-1-yl) [3-(3-oxidanylidene-3-phenyl-propyl)phenyl] phosphate

Systemtic Name: sodium (3,3-dimethylcyclohexa-1,4-dien-1-yl) [3-(3-oxidanylidene-3-phenyl-propyl)phenyl] phosphate Openeye Name: sodium (3,3-dimethylcyclohexa-1,4-dien-1-yl) [3-(3-oxo-3-phenyl-propyl)phenyl] phosphate CAS Name: sodium (3,3-dimethyl-1-cyclohexa-1,4-dienyl) [3-(3-oxo-3-phenylpropyl)phenyl] phosphate IUPAC Name: sodium (3,3-dimethylcyclohexa-1,4-dien-1-yl) [3-(3-oxo-3-phenylpropyl)phenyl] phosphate Traditional Name: sodium (3,3-dimethylcyclohexa-1,4-dien-1-yl) [3-(3-keto-3-phenyl-propyl)phenyl] phosphate Formula: C23H24NaO5P MolecularWeight: 434.397191

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CCC(=C1)OP(=O)([O-])OC2=CC=CC(=C2)CCC(=O)C3=CC=CC=C3)C.[Na+]

Isomeric SMILES

CC1(C=CCC(=C1)OP(=O)([O-])OC2=CC=CC(=C2)CCC(=O)C3=CC=CC=C3)C.[Na+]

InChI

InChI=1S/C23H25O5P.Na/c1-23(2)15-7-12-21(17-23)28-29(25,26)27-20-11-6-8-18(16-20)13-14-22(24)19-9-4-3-5-10-19;/h3-11,15-17H,12-14H2,1-2H3,(H,25,26);/q;+1/p-1