1-[(Z)-2-(2,2-dimethylpropoxymethyl)-1-methoxy-3,3-dimethyl-but-1-enyl]-3-ethenyl-benzene phosphate

Systemtic Name: 1-[(Z)-2-(2,2-dimethylpropoxymethyl)-1-methoxy-3,3-dimethyl-but-1-enyl]-3-ethenyl-benzene phosphate Openeye Name: 1-[(Z)-2-(2,2-dimethylpropoxymethyl)-1-methoxy-3,3-dimethyl-but-1-enyl]-3-vinyl-benzene phosphate CAS Name: 1-[(Z)-2-(2,2-dimethylpropoxymethyl)-1-methoxy-3,3-dimethylbut-1-enyl]-3-ethenylbenzene phosphate IUPAC Name: 1-[(Z)-2-(2,2-dimethylpropoxymethyl)-1-methoxy-3,3-dimethylbut-1-enyl]-3-ethenylbenzene phosphate Traditional Name: 1-[(Z)-1-methoxy-3,3-dimethyl-2-(neopentyloxymethyl)but-1-enyl]-3-vinyl-benzene phosphate Formula: C21H32O6P-3 MolecularWeight: 411.448941

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COCC(=C(C1=CC=CC(=C1)C=C)OC)C(C)(C)C.[O-]P(=O)([O-])[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H32O2.H3O4P/c1-9-16-11-10-12-17(13-16)19(22-8)18(21(5,6)7)14-23-15-20(2,3)4;1-5(2,3)4/h9-13H,1,14-15H2,2-8H3;(H3,1,2,3,4)/p-3/b19-18+;