[(E)-2-diphenylphosphoryl-4,4-dimethyl-5-oxidanyl-1-phenyl-pent-1-en-3-yl] 4-methoxybenzoate

Systemtic Name: [(E)-2-diphenylphosphoryl-4,4-dimethyl-5-oxidanyl-1-phenyl-pent-1-en-3-yl] 4-methoxybenzoate Openeye Name: [(E)-2-diphenylphosphoryl-1-(2-hydroxy-1,1-dimethyl-ethyl)-3-phenyl-allyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(E)-2-diphenylphosphoryl-5-hydroxy-4,4-dimethyl-1-phenylpent-1-en-3-yl] ester IUPAC Name: [(E)-2-diphenylphosphoryl-5-hydroxy-4,4-dimethyl-1-phenylpent-1-en-3-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(E)-2-diphenylphosphoryl-1-(2-hydroxy-1,1-dimethyl-ethyl)-3-phenyl-allyl] ester Formula: C33H33O5P MolecularWeight: 540.585881

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C(C(=CC1=CC=CC=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(CO)C(/C(=C\C1=CC=CC=C1)/P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C33H33O5P/c1-33(2,24-34)31(38-32(35)26-19-21-27(37-3)22-20-26)30(23-25-13-7-4-8-14-25)39(36,28-15-9-5-10-16-28)29-17-11-6-12-18-29/h4-23,31,34H,24H2,1-3H3/b30-23+