1-[4,4-bis(methylsulfanyl)-2,3-dihydrochromen-6-yl]ethanone

Systemtic Name: 1-[4,4-bis(methylsulfanyl)-2,3-dihydrochromen-6-yl]ethanone Openeye Name: 1-[4,4-bis(methylsulfanyl)chroman-6-yl]ethanone CAS Name: 1-[4,4-bis(methylthio)-3,4-dihydro-2H-1-benzopyran-6-yl]ethanone IUPAC Name: 1-[4,4-bis(methylsulfanyl)-2,3-dihydrochromen-6-yl]ethanone Traditional Name: 1-[4,4-bis(methylthio)chroman-6-yl]ethanone Formula: C13H16O2S2 MolecularWeight: 268.39494

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)OCCC2(SC)SC

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)OCCC2(SC)SC

InChI

InChI=1S/C13H16O2S2/c1-9(14)10-4-5-12-11(8-10)13(16-2,17-3)6-7-15-12/h4-5,8H,6-7H2,1-3H3