5-methoxy-2,2-dimethyl-7-sulfanyl-3H-chromen-4-one

Systemtic Name: 5-methoxy-2,2-dimethyl-7-sulfanyl-3H-chromen-4-one Openeye Name: 5-methoxy-2,2-dimethyl-7-sulfanyl-chroman-4-one CAS Name: 7-mercapto-5-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 5-methoxy-2,2-dimethyl-7-sulfanyl-3H-chromen-4-one Traditional Name: 7-mercapto-5-methoxy-2,2-dimethyl-chroman-4-one Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(C=C(C=C2O1)S)OC)C

Isomeric SMILES

CC1(CC(=O)C2=C(C=C(C=C2O1)S)OC)C

InChI

InChI=1S/C12H14O3S/c1-12(2)6-8(13)11-9(14-3)4-7(16)5-10(11)15-12/h4-5,16H,6H2,1-3H3