ethyl 4-[(E)-2-diethoxyphosphorylethenyl]-2-methyl-cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: ethyl 4-[(E)-2-diethoxyphosphorylethenyl]-2-methyl-cyclohexa-1,3-diene-1-carboxylate Openeye Name: ethyl 4-[(E)-2-diethoxyphosphorylvinyl]-2-methyl-cyclohexa-1,3-diene-1-carboxylate CAS Name: 4-[(E)-2-diethoxyphosphorylethenyl]-2-methyl-1-cyclohexa-1,3-dienecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-diethoxyphosphorylethenyl]-2-methylcyclohexa-1,3-diene-1-carboxylate Traditional Name: 4-[(E)-2-diethoxyphosphorylvinyl]-2-methyl-cyclohexa-1,3-diene-1-carboxylic acid ethyl ester Formula: C16H25O5P MolecularWeight: 328.340461

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(CC1)C=CP(=O)(OCC)OCC)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(CC1)/C=C/P(=O)(OCC)OCC)C

InChI

InChI=1S/C16H25O5P/c1-5-19-16(17)15-9-8-14(12-13(15)4)10-11-22(18,20-6-2)21-7-3/h10-12H,5-9H2,1-4H3/b11-10+