(E)-7-[5-ethanoylsulfanyl-2-[(E)-4-methyl-3-oxidanyl-oct-1-enyl]-3-oxidanyl-cyclopentyl]hept-5-enoic acid

Systemtic Name: (E)-7-[5-ethanoylsulfanyl-2-[(E)-4-methyl-3-oxidanyl-oct-1-enyl]-3-oxidanyl-cyclopentyl]hept-5-enoic acid Openeye Name: (E)-7-[5-acetylsulfanyl-3-hydroxy-2-[(E)-3-hydroxy-4-methyl-oct-1-enyl]cyclopentyl]hept-5-enoic acid CAS Name: (E)-7-[5-(acetylthio)-3-hydroxy-2-[(E)-3-hydroxy-4-methyloct-1-enyl]cyclopentyl]-5-heptenoic acid IUPAC Name: (E)-7-[5-acetylsulfanyl-3-hydroxy-2-[(E)-3-hydroxy-4-methyloct-1-enyl]cyclopentyl]hept-5-enoic acid Traditional Name: (E)-7-[5-(acetylthio)-3-hydroxy-2-[(E)-3-hydroxy-4-methyl-oct-1-enyl]cyclopentyl]hept-5-enoic acid Formula: C23H38O5S MolecularWeight: 426.60982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(C=CC1C(CC(C1CC=CCCCC(=O)O)SC(=O)C)O)O

Isomeric SMILES

CCCCC(C)C(/C=C/C1C(CC(C1C/C=C/CCCC(=O)O)SC(=O)C)O)O

InChI

InChI=1S/C23H38O5S/c1-4-5-10-16(2)20(25)14-13-18-19(11-8-6-7-9-12-23(27)28)22(15-21(18)26)29-17(3)24/h6,8,13-14,16,18-22,25-26H,4-5,7,9-12,15H2,1-3H3,(H,27,28)/b8-6+,14-13+