methyl (5R,7R,9S)-7,9-bis[(4-methoxyphenyl)methoxy]-5-oxidanyl-13-phenyl-tridec-2-ynoate

Systemtic Name: methyl (5R,7R,9S)-7,9-bis[(4-methoxyphenyl)methoxy]-5-oxidanyl-13-phenyl-tridec-2-ynoate Openeye Name: methyl (5R,7R,9S)-5-hydroxy-7,9-bis[(4-methoxyphenyl)methoxy]-13-phenyl-tridec-2-ynoate CAS Name: (5R,7R,9S)-5-hydroxy-7,9-bis[(4-methoxyphenyl)methoxy]-13-phenyl-2-tridecynoic acid methyl ester IUPAC Name: methyl (5R,7R,9S)-5-hydroxy-7,9-bis[(4-methoxyphenyl)methoxy]-13-phenyltridec-2-ynoate Traditional Name: (5R,7R,9S)-5-hydroxy-7,9-bis(p-anisyloxy)-13-phenyl-tridec-2-ynoic acid methyl ester Formula: C36H44O7 MolecularWeight: 588.73036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(CCCCC2=CC=CC=C2)CC(CC(CC#CC(=O)OC)O)OCC3=CC=C(C=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)CO[C@@H](CCCCC2=CC=CC=C2)C[C@@H](C[C@@H](CC#CC(=O)OC)O)OCC3=CC=C(C=C3)OC

InChI

InChI=1S/C36H44O7/c1-39-32-20-16-29(17-21-32)26-42-34(14-8-7-12-28-10-5-4-6-11-28)25-35(24-31(37)13-9-15-36(38)41-3)43-27-30-18-22-33(40-2)23-19-30/h4-6,10-11,16-23,31,34-35,37H,7-8,12-14,24-27H2,1-3H3/t31-,34+,35-/m1/s1