2-[5-methyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-6-yl]cyclohexane-1,3-dione

Systemtic Name: 2-[5-methyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-6-yl]cyclohexane-1,3-dione Openeye Name: 2-(5-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)cyclohexane-1,3-dione CAS Name: 2-(5-methyl-1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-6-yl)cyclohexane-1,3-dione IUPAC Name: 2-(5-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)cyclohexane-1,3-dione Traditional Name: 2-(1,1-diketo-5-methyl-3,4-dihydro-2H-thiochromen-6-yl)cyclohexane-1,3-quinone Formula: C16H18O4S MolecularWeight: 306.37672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1CCCS2(=O)=O)C3C(=O)CCCC3=O

Isomeric SMILES

CC1=C(C=CC2=C1CCCS2(=O)=O)C3C(=O)CCCC3=O

InChI

InChI=1S/C16H18O4S/c1-10-11-4-3-9-21(19,20)15(11)8-7-12(10)16-13(17)5-2-6-14(16)18/h7-8,16H,2-6,9H2,1H3