9-[[(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-yl]oxy]-9-oxidanylidene-nonanoic acid

Systemtic Name: 9-[[(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-yl]oxy]-9-oxidanylidene-nonanoic acid Openeye Name: 9-[(2R,3S)-5,7-dibenzyloxy-2-(3,4-dibenzyloxyphenyl)chroman-3-yl]oxy-9-oxo-nonanoic acid CAS Name: 9-[[(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-1-benzopyran-3-yl]oxy]-9-oxononanoic acid IUPAC Name: 9-[[(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-yl]oxy]-9-oxononanoic acid Traditional Name: 9-[(2R,3S)-5,7-dibenzoxy-2-(3,4-dibenzoxyphenyl)chroman-3-yl]oxy-9-keto-pelargonic acid Formula: C52H52O9 MolecularWeight: 820.96388

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC2=CC(=CC(=C21)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C5=CC(=C(C=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OC(=O)CCCCCCCC(=O)O

Isomeric SMILES

C1[C@@H]([C@H](OC2=CC(=CC(=C21)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C5=CC(=C(C=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OC(=O)CCCCCCCC(=O)O

InChI

InChI=1S/C52H52O9/c53-50(54)26-16-2-1-3-17-27-51(55)60-49-33-44-46(58-36-40-22-12-6-13-23-40)31-43(56-34-38-18-8-4-9-19-38)32-47(44)61-52(49)42-28-29-45(57-35-39-20-10-5-11-21-39)48(30-42)59-37-41-24-14-7-15-25-41/h4-15,18-25,28-32,49,52H,1-3,16-17,26-27,33-37H2,(H,53,54)/t49-,52+/m0/s1