4-butyl-5-methoxy-2-(3-sulfanylpropylsulfanyl)cyclopent-4-ene-1,3-dione

Systemtic Name: 4-butyl-5-methoxy-2-(3-sulfanylpropylsulfanyl)cyclopent-4-ene-1,3-dione Openeye Name: 4-butyl-5-methoxy-2-(3-sulfanylpropylsulfanyl)cyclopent-4-ene-1,3-dione CAS Name: 4-butyl-2-(3-mercaptopropylthio)-5-methoxycyclopent-4-ene-1,3-dione IUPAC Name: 4-butyl-5-methoxy-2-(3-sulfanylpropylsulfanyl)cyclopent-4-ene-1,3-dione Traditional Name: 4-butyl-2-(3-mercaptopropylthio)-5-methoxy-cyclopent-4-ene-1,3-quinone Formula: C13H20O3S2 MolecularWeight: 288.4261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)C(C1=O)SCCCS)OC

Isomeric SMILES

CCCCC1=C(C(=O)C(C1=O)SCCCS)OC

InChI

InChI=1S/C13H20O3S2/c1-3-4-6-9-10(14)13(18-8-5-7-17)11(15)12(9)16-2/h13,17H,3-8H2,1-2H3