2,2-dimethyl-7-(1-sulfanylethoxy)-3H-chromen-4-one

Systemtic Name: 2,2-dimethyl-7-(1-sulfanylethoxy)-3H-chromen-4-one Openeye Name: 2,2-dimethyl-7-(1-sulfanylethoxy)chroman-4-one CAS Name: 7-(1-mercaptoethoxy)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 2,2-dimethyl-7-(1-sulfanylethoxy)-3H-chromen-4-one Traditional Name: 7-(1-mercaptoethoxy)-2,2-dimethyl-chroman-4-one Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC1=CC2=C(C=C1)C(=O)CC(O2)(C)C)S

Isomeric SMILES

CC(OC1=CC2=C(C=C1)C(=O)CC(O2)(C)C)S

InChI

InChI=1S/C13H16O3S/c1-8(17)15-9-4-5-10-11(14)7-13(2,3)16-12(10)6-9/h4-6,8,17H,7H2,1-3H3