2-(2-methyl-2-oxidanyl-heptyl)sulfanyl-4-oxidanyl-cyclopent-2-en-1-one

Systemtic Name: 2-(2-methyl-2-oxidanyl-heptyl)sulfanyl-4-oxidanyl-cyclopent-2-en-1-one Openeye Name: 4-hydroxy-2-(2-hydroxy-2-methyl-heptyl)sulfanyl-cyclopent-2-en-1-one CAS Name: 4-hydroxy-2-[(2-hydroxy-2-methylheptyl)thio]-1-cyclopent-2-enone IUPAC Name: 4-hydroxy-2-(2-hydroxy-2-methylheptyl)sulfanylcyclopent-2-en-1-one Traditional Name: 4-hydroxy-2-[(2-hydroxy-2-methyl-heptyl)thio]cyclopent-2-en-1-one Formula: C13H22O3S MolecularWeight: 258.37698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(CSC1=CC(CC1=O)O)O

Isomeric SMILES

CCCCCC(C)(CSC1=CC(CC1=O)O)O

InChI

InChI=1S/C13H22O3S/c1-3-4-5-6-13(2,16)9-17-12-8-10(14)7-11(12)15/h8,10,14,16H,3-7,9H2,1-2H3