2-[4-[(1R,2S,3R,5R)-5-chloranyl-3-oxidanyl-2-[2-(1-oxidanylcyclopentyl)ethynyl]cyclopentyl]butylsulfanyl]ethanoic acid

Systemtic Name: 2-[4-[(1R,2S,3R,5R)-5-chloranyl-3-oxidanyl-2-[2-(1-oxidanylcyclopentyl)ethynyl]cyclopentyl]butylsulfanyl]ethanoic acid Openeye Name: 2-[4-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[2-(1-hydroxycyclopentyl)ethynyl]cyclopentyl]butylsulfanyl]acetic acid CAS Name: 2-[4-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[2-(1-hydroxycyclopentyl)ethynyl]cyclopentyl]butylthio]acetic acid IUPAC Name: 2-[4-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[2-(1-hydroxycyclopentyl)ethynyl]cyclopentyl]butylsulfanyl]acetic acid Traditional Name: 2-[4-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[2-(1-hydroxycyclopentyl)ethynyl]cyclopentyl]butylthio]acetic acid Formula: C18H27ClO4S MolecularWeight: 374.92258

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#CC2C(CC(C2CCCCSCC(=O)O)Cl)O)O

Isomeric SMILES

C1CCC(C1)(C#C[C@H]2[C@@H](C[C@H]([C@@H]2CCCCSCC(=O)O)Cl)O)O

InChI

InChI=1S/C18H27ClO4S/c19-15-11-16(20)14(6-9-18(23)7-2-3-8-18)13(15)5-1-4-10-24-12-17(21)22/h13-16,20,23H,1-5,7-8,10-12H2,(H,21,22)/t13-,14-,15-,16-/m1/s1