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

Systemtic Name: 2-[[4-methyl-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-5-yl]-oxidanyl-methylidene]cyclohexane-1,3-dione Openeye Name: 2-[hydroxy-(4-methyl-1,1-dioxo-2,3-dihydrobenzothiophen-5-yl)methylene]cyclohexane-1,3-dione CAS Name: 2-[hydroxy-(4-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)methylidene]cyclohexane-1,3-dione IUPAC Name: 2-[hydroxy-(4-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)methylidene]cyclohexane-1,3-dione Traditional Name: 2-[(1,1-diketo-4-methyl-2,3-dihydrobenzothiophen-5-yl)-hydroxy-methylene]cyclohexane-1,3-quinone Formula: C16H16O5S MolecularWeight: 320.36024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1CCS2(=O)=O)C(=C3C(=O)CCCC3=O)O

Isomeric SMILES

CC1=C(C=CC2=C1CCS2(=O)=O)C(=C3C(=O)CCCC3=O)O

InChI

InChI=1S/C16H16O5S/c1-9-10-7-8-22(20,21)14(10)6-5-11(9)16(19)15-12(17)3-2-4-13(15)18/h5-6,19H,2-4,7-8H2,1H3