(7E)-7-(4-methylsulfanyl-2-octyl-2-oxidanyl-5-oxidanylidene-cyclopent-3-en-1-ylidene)heptanoic acid

Systemtic Name: (7E)-7-(4-methylsulfanyl-2-octyl-2-oxidanyl-5-oxidanylidene-cyclopent-3-en-1-ylidene)heptanoic acid Openeye Name: (7E)-7-(2-hydroxy-4-methylsulfanyl-2-octyl-5-oxo-cyclopent-3-en-1-ylidene)heptanoic acid CAS Name: (7E)-7-[2-hydroxy-4-(methylthio)-2-octyl-5-oxo-1-cyclopent-3-enylidene]heptanoic acid IUPAC Name: (7E)-7-(2-hydroxy-4-methylsulfanyl-2-octyl-5-oxocyclopent-3-en-1-ylidene)heptanoic acid Traditional Name: (7E)-7-[2-hydroxy-5-keto-4-(methylthio)-2-octyl-cyclopent-3-en-1-ylidene]enanthic acid Formula: C21H34O4S MolecularWeight: 382.55726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C=C(C(=O)C1=CCCCCCC(=O)O)SC)O

Isomeric SMILES

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

InChI

InChI=1S/C21H34O4S/c1-3-4-5-6-9-12-15-21(25)16-18(26-2)20(24)17(21)13-10-7-8-11-14-19(22)23/h13,16,25H,3-12,14-15H2,1-2H3,(H,22,23)/b17-13-