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

Systemtic Name: (Z)-3-(2-butylphenyl)-2-methyl-1-oxidanyl-3-oxidanylidene-prop-1-en-1-olate phosphate Openeye Name: (Z)-3-(2-butylphenyl)-1-hydroxy-2-methyl-3-oxo-prop-1-en-1-olate phosphate CAS Name: (Z)-3-(2-butylphenyl)-1-hydroxy-2-methyl-3-oxo-1-propen-1-olate phosphate IUPAC Name: (Z)-3-(2-butylphenyl)-1-hydroxy-2-methyl-3-oxoprop-1-en-1-olate phosphate Traditional Name: (Z)-3-(2-butylphenyl)-1-hydroxy-3-keto-2-methyl-prop-1-en-1-olate phosphate Formula: C14H17O7P-4 MolecularWeight: 328.254341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1C(=O)C(=C(O)[O-])C.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCCCC1=CC=CC=C1C(=O)/C(=C(\O)/[O-])/C.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C14H18O3.H3O4P/c1-3-4-7-11-8-5-6-9-12(11)13(15)10(2)14(16)17;1-5(2,3)4/h5-6,8-9,16-17H,3-4,7H2,1-2H3;(H3,1,2,3,4)/p-4