7-[2-oxidanylidene-5-(2,3,3-trimethyl-2-oxidanyl-hexyl)sulfanyl-cyclopentyl]heptanoic acid

Systemtic Name: 7-[2-oxidanylidene-5-(2,3,3-trimethyl-2-oxidanyl-hexyl)sulfanyl-cyclopentyl]heptanoic acid Openeye Name: 7-[2-(2-hydroxy-2,3,3-trimethyl-hexyl)sulfanyl-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(2-hydroxy-2,3,3-trimethylhexyl)thio]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-(2-hydroxy-2,3,3-trimethylhexyl)sulfanyl-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(2-hydroxy-2,3,3-trimethyl-hexyl)thio]-5-keto-cyclopentyl]enanthic acid Formula: C21H38O4S MolecularWeight: 386.58902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)C(C)(CSC1CCC(=O)C1CCCCCCC(=O)O)O

Isomeric SMILES

CCCC(C)(C)C(C)(CSC1CCC(=O)C1CCCCCCC(=O)O)O

InChI

InChI=1S/C21H38O4S/c1-5-14-20(2,3)21(4,25)15-26-18-13-12-17(22)16(18)10-8-6-7-9-11-19(23)24/h16,18,25H,5-15H2,1-4H3,(H,23,24)