[4-[(E)-4-diethoxyphosphoryloxybut-2-en-2-yl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-4-diethoxyphosphoryloxybut-2-en-2-yl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-3-diethoxyphosphoryloxy-1-methyl-prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-4-diethoxyphosphoryloxybut-2-en-2-yl]phenyl] ester IUPAC Name: [4-[(E)-4-diethoxyphosphoryloxybut-2-en-2-yl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-diethoxyphosphoryloxy-1-methyl-prop-1-enyl]phenyl] ester Formula: C21H27O7PS MolecularWeight: 454.473641

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)OCC=C(C)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOP(=O)(OCC)OC/C=C(\C)/C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H27O7PS/c1-5-25-29(22,26-6-2)27-16-15-18(4)19-9-11-20(12-10-19)28-30(23,24)21-13-7-17(3)8-14-21/h7-15H,5-6,16H2,1-4H3/b18-15+