(Z)-2-methyl-3-(2-nonylphenyl)-1-oxidanyl-3-oxidanylidene-prop-1-en-1-olate phosphate

Systemtic Name: (Z)-2-methyl-3-(2-nonylphenyl)-1-oxidanyl-3-oxidanylidene-prop-1-en-1-olate phosphate Openeye Name: (Z)-1-hydroxy-2-methyl-3-(2-nonylphenyl)-3-oxo-prop-1-en-1-olate phosphate CAS Name: (Z)-1-hydroxy-2-methyl-3-(2-nonylphenyl)-3-oxo-1-propen-1-olate phosphate IUPAC Name: (Z)-1-hydroxy-2-methyl-3-(2-nonylphenyl)-3-oxoprop-1-en-1-olate phosphate Traditional Name: (Z)-1-hydroxy-3-keto-2-methyl-3-(2-nonylphenyl)prop-1-en-1-olate phosphate Formula: C19H27O7P-4 MolecularWeight: 398.387241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1C(=O)C(=C(O)[O-])C.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1C(=O)/C(=C(\O)/[O-])/C.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C19H28O3.H3O4P/c1-3-4-5-6-7-8-9-12-16-13-10-11-14-17(16)18(20)15(2)19(21)22;1-5(2,3)4/h10-11,13-14,21-22H,3-9,12H2,1-2H3;(H3,1,2,3,4)/p-4