(1R,2R,3R,4R)-4-chloranyl-2-[(E,3S)-4-[3-methoxy-5-(methoxymethyl)phenyl]-3-oxidanyl-but-1-enyl]-3-[2-(4-oxidanylbutylsulfanyl)ethyl]cyclopentan-1-ol

Systemtic Name: (1R,2R,3R,4R)-4-chloranyl-2-[(E,3S)-4-[3-methoxy-5-(methoxymethyl)phenyl]-3-oxidanyl-but-1-enyl]-3-[2-(4-oxidanylbutylsulfanyl)ethyl]cyclopentan-1-ol Openeye Name: (1R,2R,3R,4R)-4-chloro-3-[2-(4-hydroxybutylsulfanyl)ethyl]-2-[(E,3S)-3-hydroxy-4-[3-methoxy-5-(methoxymethyl)phenyl]but-1-enyl]cyclopentanol CAS Name: (1R,2R,3R,4R)-4-chloro-3-[2-(4-hydroxybutylthio)ethyl]-2-[(E,3S)-3-hydroxy-4-[3-methoxy-5-(methoxymethyl)phenyl]but-1-enyl]-1-cyclopentanol IUPAC Name: (1R,2R,3R,4R)-4-chloro-3-[2-(4-hydroxybutylsulfanyl)ethyl]-2-[(E,3S)-3-hydroxy-4-[3-methoxy-5-(methoxymethyl)phenyl]but-1-enyl]cyclopentan-1-ol Traditional Name: (1R,2R,3R,4R)-4-chloro-3-[2-(4-hydroxybutylthio)ethyl]-2-[(E,3S)-3-hydroxy-4-[3-methoxy-5-(methoxymethyl)phenyl]but-1-enyl]cyclopentanol Formula: C24H37ClO5S MolecularWeight: 473.06558

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=CC(=C1)CC(C=CC2C(CC(C2CCSCCCCO)Cl)O)O)OC

Isomeric SMILES

COCC1=CC(=CC(=C1)C[C@@H](/C=C/[C@H]2[C@@H](C[C@H]([C@@H]2CCSCCCCO)Cl)O)O)OC

InChI

InChI=1S/C24H37ClO5S/c1-29-16-18-11-17(13-20(14-18)30-2)12-19(27)5-6-22-21(23(25)15-24(22)28)7-10-31-9-4-3-8-26/h5-6,11,13-14,19,21-24,26-28H,3-4,7-10,12,15-16H2,1-2H3/b6-5+/t19-,21-,22-,23-,24-/m1/s1