(E)-7-[5-oxidanylidene-2-[(E)-3-oxidanyloct-1-enyl]-3-phenylsulfanyl-cyclopentyl]hept-5-enoic acid

Systemtic Name: (E)-7-[5-oxidanylidene-2-[(E)-3-oxidanyloct-1-enyl]-3-phenylsulfanyl-cyclopentyl]hept-5-enoic acid Openeye Name: (E)-7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxo-3-phenylsulfanyl-cyclopentyl]hept-5-enoic acid CAS Name: (E)-7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxo-3-(phenylthio)cyclopentyl]-5-heptenoic acid IUPAC Name: (E)-7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxo-3-phenylsulfanylcyclopentyl]hept-5-enoic acid Traditional Name: (E)-7-[2-[(E)-3-hydroxyoct-1-enyl]-5-keto-3-(phenylthio)cyclopentyl]hept-5-enoic acid Formula: C26H36O4S MolecularWeight: 444.62664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)SC2=CC=CC=C2)O

Isomeric SMILES

CCCCCC(/C=C/C1C(CC(=O)C1C/C=C/CCCC(=O)O)SC2=CC=CC=C2)O

InChI

InChI=1S/C26H36O4S/c1-2-3-7-12-20(27)17-18-23-22(15-10-4-5-11-16-26(29)30)24(28)19-25(23)31-21-13-8-6-9-14-21/h4,6,8-10,13-14,17-18,20,22-23,25,27H,2-3,5,7,11-12,15-16,19H2,1H3,(H,29,30)/b10-4+,18-17+