7-[(1S,2R)-2-[3-(4-bromanylphenoxy)-2-methyl-2-oxidanyl-propyl]sulfanyl-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 7-[(1S,2R)-2-[3-(4-bromanylphenoxy)-2-methyl-2-oxidanyl-propyl]sulfanyl-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[(1S,2R)-2-[3-(4-bromophenoxy)-2-hydroxy-2-methyl-propyl]sulfanyl-3-hydroxy-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[(1S,2R)-2-[[3-(4-bromophenoxy)-2-hydroxy-2-methylpropyl]thio]-3-hydroxy-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[(1S,2R)-2-[3-(4-bromophenoxy)-2-hydroxy-2-methylpropyl]sulfanyl-3-hydroxy-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[(1S,2R)-2-[[3-(4-bromophenoxy)-2-hydroxy-2-methyl-propyl]thio]-3-hydroxy-5-keto-cyclopentyl]enanthic acid Formula: C22H31BrO6S MolecularWeight: 503.44694

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=C(C=C1)Br)(CSC2C(CC(=O)C2CCCCCCC(=O)O)O)O

Isomeric SMILES

CC(COC1=CC=C(C=C1)Br)(CS[C@@H]2[C@H](C(=O)CC2O)CCCCCCC(=O)O)O

InChI

InChI=1S/C22H31BrO6S/c1-22(28,13-29-16-10-8-15(23)9-11-16)14-30-21-17(18(24)12-19(21)25)6-4-2-3-5-7-20(26)27/h8-11,17,19,21,25,28H,2-7,12-14H2,1H3,(H,26,27)/t17-,19?,21+,22?/m0/s1