2,2-bis(hydroxymethyl)butyl (E)-7-[(1R,2R,3S,5S)-2-[3-(3-chloranyl-1-benzothiophen-2-yl)-3-oxidanyl-propyl]-3-fluoranyl-5-oxidanyl-cyclopentyl]hept-5-enoate

Systemtic Name: 2,2-bis(hydroxymethyl)butyl (E)-7-[(1R,2R,3S,5S)-2-[3-(3-chloranyl-1-benzothiophen-2-yl)-3-oxidanyl-propyl]-3-fluoranyl-5-oxidanyl-cyclopentyl]hept-5-enoate Openeye Name: 2,2-bis(hydroxymethyl)butyl (E)-7-[(1R,2R,3S,5S)-2-[3-(3-chlorobenzothiophen-2-yl)-3-hydroxy-propyl]-3-fluoro-5-hydroxy-cyclopentyl]hept-5-enoate CAS Name: (E)-7-[(1R,2R,3S,5S)-2-[3-(3-chloro-1-benzothiophen-2-yl)-3-hydroxypropyl]-3-fluoro-5-hydroxycyclopentyl]-5-heptenoic acid 2,2-bis(hydroxymethyl)butyl ester IUPAC Name: 2,2-bis(hydroxymethyl)butyl (E)-7-[(1R,2R,3S,5S)-2-[3-(3-chloro-1-benzothiophen-2-yl)-3-hydroxypropyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoate Traditional Name: (E)-7-[(1R,2R,3S,5S)-2-[3-(3-chlorobenzothiophen-2-yl)-3-hydroxy-propyl]-3-fluoro-5-hydroxy-cyclopentyl]hept-5-enoic acid 2,2-dimethylolbutyl ester Formula: C29H40ClFO6S MolecularWeight: 571.140703

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)COC(=O)CCCC=CCC1C(CC(C1CCC(C2=C(C3=CC=CC=C3S2)Cl)O)F)O

Isomeric SMILES

CCC(CO)(CO)COC(=O)CCC/C=C/C[C@H]1[C@H](C[C@@H]([C@@H]1CCC(C2=C(C3=CC=CC=C3S2)Cl)O)F)O

InChI

InChI=1S/C29H40ClFO6S/c1-2-29(16-32,17-33)18-37-26(36)12-6-4-3-5-9-20-19(22(31)15-24(20)35)13-14-23(34)28-27(30)21-10-7-8-11-25(21)38-28/h3,5,7-8,10-11,19-20,22-24,32-35H,2,4,6,9,12-18H2,1H3/b5-3+/t19-,20-,22+,23?,24+/m1/s1