methyl 6-[(4R,5S)-2-methyl-4-oxidanyl-5-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]cyclopenten-1-yl]sulfanylhexanoate

Systemtic Name: methyl 6-[(4R,5S)-2-methyl-4-oxidanyl-5-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]cyclopenten-1-yl]sulfanylhexanoate Openeye Name: methyl 6-[(4R,5S)-4-hydroxy-5-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-2-methyl-cyclopenten-1-yl]sulfanylhexanoate CAS Name: 6-[[(4R,5S)-4-hydroxy-5-[(E)-3-hydroxy-4-phenylbut-1-enyl]-2-methyl-1-cyclopentenyl]thio]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4R,5S)-4-hydroxy-5-[(E)-3-hydroxy-4-phenylbut-1-enyl]-2-methylcyclopenten-1-yl]sulfanylhexanoate Traditional Name: 6-[[(4R,5S)-4-hydroxy-5-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-2-methyl-cyclopenten-1-yl]thio]hexanoic acid methyl ester Formula: C23H32O4S MolecularWeight: 404.56278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(C1)O)C=CC(CC2=CC=CC=C2)O)SCCCCCC(=O)OC

Isomeric SMILES

CC1=C([C@H]([C@@H](C1)O)/C=C/C(CC2=CC=CC=C2)O)SCCCCCC(=O)OC

InChI

InChI=1S/C23H32O4S/c1-17-15-21(25)20(13-12-19(24)16-18-9-5-3-6-10-18)23(17)28-14-8-4-7-11-22(26)27-2/h3,5-6,9-10,12-13,19-21,24-25H,4,7-8,11,14-16H2,1-2H3/b13-12+/t19?,20-,21+/m0/s1