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

Systemtic Name: (E)-7-[2-[(E)-4-methyl-3-oxidanyl-oct-1-enyl]-3-oxidanyl-5-sulfanyl-cyclopentyl]hept-5-enoic acid Openeye Name: (E)-7-[3-hydroxy-2-[(E)-3-hydroxy-4-methyl-oct-1-enyl]-5-sulfanyl-cyclopentyl]hept-5-enoic acid CAS Name: (E)-7-[3-hydroxy-2-[(E)-3-hydroxy-4-methyloct-1-enyl]-5-mercaptocyclopentyl]-5-heptenoic acid IUPAC Name: (E)-7-[3-hydroxy-2-[(E)-3-hydroxy-4-methyloct-1-enyl]-5-sulfanylcyclopentyl]hept-5-enoic acid Traditional Name: (E)-7-[3-hydroxy-2-[(E)-3-hydroxy-4-methyl-oct-1-enyl]-5-mercapto-cyclopentyl]hept-5-enoic acid Formula: C21H36O4S MolecularWeight: 384.57314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36O4S/c1-3-4-9-15(2)18(22)13-12-16-17(20(26)14-19(16)23)10-7-5-6-8-11-21(24)25/h5,7,12-13,15-20,22-23,26H,3-4,6,8-11,14H2,1-2H3,(H,24,25)/b7-5+,13-12+