(7E)-7-[3-methylsulfanyl-2-oxidanylidene-5-[(E)-3-oxidanyloct-1-enyl]cyclopent-3-en-1-ylidene]heptanoic acid

Systemtic Name: (7E)-7-[3-methylsulfanyl-2-oxidanylidene-5-[(E)-3-oxidanyloct-1-enyl]cyclopent-3-en-1-ylidene]heptanoic acid Openeye Name: (7E)-7-[5-[(E)-3-hydroxyoct-1-enyl]-3-methylsulfanyl-2-oxo-cyclopent-3-en-1-ylidene]heptanoic acid CAS Name: (7E)-7-[5-[(E)-3-hydroxyoct-1-enyl]-3-(methylthio)-2-oxo-1-cyclopent-3-enylidene]heptanoic acid IUPAC Name: (7E)-7-[5-[(E)-3-hydroxyoct-1-enyl]-3-methylsulfanyl-2-oxocyclopent-3-en-1-ylidene]heptanoic acid Traditional Name: (7E)-7-[5-[(E)-3-hydroxyoct-1-enyl]-2-keto-3-(methylthio)cyclopent-3-en-1-ylidene]enanthic acid Formula: C21H32O4S MolecularWeight: 380.54138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C=C(C(=O)C1=CCCCCCC(=O)O)SC)O

Isomeric SMILES

CCCCCC(/C=C/C\1C=C(C(=O)/C1=C/CCCCCC(=O)O)SC)O

InChI

InChI=1S/C21H32O4S/c1-3-4-7-10-17(22)14-13-16-15-19(26-2)21(25)18(16)11-8-5-6-9-12-20(23)24/h11,13-17,22H,3-10,12H2,1-2H3,(H,23,24)/b14-13+,18-11+