2-(2-methyl-2-oxidanyl-heptyl)sulfanylcyclopent-2-en-1-one

Systemtic Name: 2-(2-methyl-2-oxidanyl-heptyl)sulfanylcyclopent-2-en-1-one Openeye Name: 2-(2-hydroxy-2-methyl-heptyl)sulfanylcyclopent-2-en-1-one CAS Name: 2-[(2-hydroxy-2-methylheptyl)thio]-1-cyclopent-2-enone IUPAC Name: 2-(2-hydroxy-2-methylheptyl)sulfanylcyclopent-2-en-1-one Traditional Name: 2-[(2-hydroxy-2-methyl-heptyl)thio]cyclopent-2-en-1-one Formula: C13H22O2S MolecularWeight: 242.37758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(CSC1=CCCC1=O)O

Isomeric SMILES

CCCCCC(C)(CSC1=CCCC1=O)O

InChI

InChI=1S/C13H22O2S/c1-3-4-5-9-13(2,15)10-16-12-8-6-7-11(12)14/h8,15H,3-7,9-10H2,1-2H3