[(3S,4R,5E)-4-diphenylphosphoryl-2-methyl-7-oxidanyl-hepta-1,5-dien-3-yl] ethanoate

Systemtic Name: [(3S,4R,5E)-4-diphenylphosphoryl-2-methyl-7-oxidanyl-hepta-1,5-dien-3-yl] ethanoate Openeye Name: [(E,1S,2R)-2-diphenylphosphoryl-5-hydroxy-1-isopropenyl-pent-3-enyl] acetate CAS Name: acetic acid [(3S,4R,5E)-4-diphenylphosphoryl-7-hydroxy-2-methylhepta-1,5-dien-3-yl] ester IUPAC Name: [(3S,4R,5E)-4-diphenylphosphoryl-7-hydroxy-2-methylhepta-1,5-dien-3-yl] acetate Traditional Name: acetic acid [(E,1S,2R)-2-diphenylphosphoryl-5-hydroxy-1-isopropenyl-pent-3-enyl] ester Formula: C22H25O4P MolecularWeight: 384.405261

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(C=CCO)P(=O)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CC(=C)[C@@H]([C@@H](/C=C/CO)P(=O)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C22H25O4P/c1-17(2)22(26-18(3)24)21(15-10-16-23)27(25,19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-15,21-23H,1,16H2,2-3H3/b15-10+/t21-,22+/m1/s1