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

Systemtic Name: 7-[(1S,2R)-2-[2-(4-bromophenyl)-2-oxidanyl-heptyl]sulfanyl-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[(1S,2R)-2-[2-(4-bromophenyl)-2-hydroxy-heptyl]sulfanyl-3-hydroxy-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[(1S,2R)-2-[[2-(4-bromophenyl)-2-hydroxyheptyl]thio]-3-hydroxy-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[(1S,2R)-2-[2-(4-bromophenyl)-2-hydroxyheptyl]sulfanyl-3-hydroxy-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[(1S,2R)-2-[[2-(4-bromophenyl)-2-hydroxy-heptyl]thio]-3-hydroxy-5-keto-cyclopentyl]enanthic acid Formula: C25H37BrO5S MolecularWeight: 529.52728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CSC1C(CC(=O)C1CCCCCCC(=O)O)O)(C2=CC=C(C=C2)Br)O

Isomeric SMILES

CCCCCC(CS[C@@H]1[C@H](C(=O)CC1O)CCCCCCC(=O)O)(C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C25H37BrO5S/c1-2-3-8-15-25(31,18-11-13-19(26)14-12-18)17-32-24-20(21(27)16-22(24)28)9-6-4-5-7-10-23(29)30/h11-14,20,22,24,28,31H,2-10,15-17H2,1H3,(H,29,30)/t20-,22?,24+,25?/m0/s1