4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol diphosphate

Systemtic Name: 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol diphosphate Openeye Name: 4-[(E)-1-ethyl-2-(4-hydroxyphenyl)but-1-enyl]phenol diphosphate CAS Name: 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol diphosphate IUPAC Name: 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol diphosphate Traditional Name: 4-[(E)-1-ethyl-2-(4-hydroxyphenyl)but-1-enyl]phenol diphosphate Formula: C18H20O10P2-6 MolecularWeight: 458.292922

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC/C(=C(/CC)\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C18H20O2.2H3O4P/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14;2*1-5(2,3)4/h5-12,19-20H,3-4H2,1-2H3;2*(H3,1,2,3,4)/p-6/b18-17+;;