2-[4-[2-[(1R,2R,3R)-2-[(E,3S)-4-[3-(methoxymethyl)phenyl]-3-oxidanyl-but-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]ethylsulfanyl]butanoyloxy]ethyl 2,2-dimethyloctanoate

Systemtic Name: 2-[4-[2-[(1R,2R,3R)-2-[(E,3S)-4-[3-(methoxymethyl)phenyl]-3-oxidanyl-but-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]ethylsulfanyl]butanoyloxy]ethyl 2,2-dimethyloctanoate Openeye Name: 2-[4-[2-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-5-oxo-cyclopentyl]ethylsulfanyl]butanoyloxy]ethyl 2,2-dimethyloctanoate CAS Name: 2,2-dimethyloctanoic acid 2-[4-[2-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-5-oxocyclopentyl]ethylthio]-1-oxobutoxy]ethyl ester IUPAC Name: 2-[4-[2-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-5-oxocyclopentyl]ethylsulfanyl]butanoyloxy]ethyl 2,2-dimethyloctanoate Traditional Name: 2,2-dimethylcaprylic acid 2-[4-[2-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-5-keto-cyclopentyl]ethylthio]butanoyloxy]ethyl ester Formula: C35H54O8S MolecularWeight: 634.86346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C(=O)OCCOC(=O)CCCSCCC1C(C(CC1=O)O)C=CC(CC2=CC(=CC=C2)COC)O

Isomeric SMILES

CCCCCCC(C)(C)C(=O)OCCOC(=O)CCCSCC[C@@H]1[C@H]([C@@H](CC1=O)O)/C=C/[C@H](CC2=CC(=CC=C2)COC)O

InChI

InChI=1S/C35H54O8S/c1-5-6-7-8-17-35(2,3)34(40)43-19-18-42-33(39)13-10-20-44-21-16-30-29(31(37)24-32(30)38)15-14-28(36)23-26-11-9-12-27(22-26)25-41-4/h9,11-12,14-15,22,28-31,36-37H,5-8,10,13,16-21,23-25H2,1-4H3/b15-14+/t28-,29-,30-,31-/m1/s1