methyl (E)-2-diethoxyphosphoryl-3-(2-tridec-1-ynylphenyl)prop-2-enoate

Systemtic Name: methyl (E)-2-diethoxyphosphoryl-3-(2-tridec-1-ynylphenyl)prop-2-enoate Openeye Name: methyl (E)-2-diethoxyphosphoryl-3-(2-tridec-1-ynylphenyl)prop-2-enoate CAS Name: (E)-2-diethoxyphosphoryl-3-(2-tridec-1-ynylphenyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-diethoxyphosphoryl-3-(2-tridec-1-ynylphenyl)prop-2-enoate Traditional Name: (E)-2-diethoxyphosphoryl-3-(2-tridec-1-ynylphenyl)acrylic acid methyl ester Formula: C27H41O5P MolecularWeight: 476.585201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC#CC1=CC=CC=C1C=C(C(=O)OC)P(=O)(OCC)OCC

Isomeric SMILES

CCCCCCCCCCCC#CC1=CC=CC=C1/C=C(\C(=O)OC)/P(=O)(OCC)OCC

InChI

InChI=1S/C27H41O5P/c1-5-8-9-10-11-12-13-14-15-16-17-20-24-21-18-19-22-25(24)23-26(27(28)30-4)33(29,31-6-2)32-7-3/h18-19,21-23H,5-16H2,1-4H3/b26-23+