2-[[4-chloranyl-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-5-yl]carbonyl]-4-methyl-cyclohexane-1,3-dione

Systemtic Name: 2-[[4-chloranyl-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-5-yl]carbonyl]-4-methyl-cyclohexane-1,3-dione Openeye Name: 2-(4-chloro-1,1-dioxo-2,3-dihydrobenzothiophene-5-carbonyl)-4-methyl-cyclohexane-1,3-dione CAS Name: 2-[(4-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)-oxomethyl]-4-methylcyclohexane-1,3-dione IUPAC Name: 2-(4-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carbonyl)-4-methylcyclohexane-1,3-dione Traditional Name: 2-(4-chloro-1,1-diketo-2,3-dihydrobenzothiophene-5-carbonyl)-4-methyl-cyclohexane-1,3-quinone Formula: C16H15ClO5S MolecularWeight: 354.8053

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=O)C(C1=O)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CC3)Cl

Isomeric SMILES

CC1CCC(=O)C(C1=O)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CC3)Cl

InChI

InChI=1S/C16H15ClO5S/c1-8-2-4-11(18)13(15(8)19)16(20)10-3-5-12-9(14(10)17)6-7-23(12,21)22/h3,5,8,13H,2,4,6-7H2,1H3