sodium 2-[[4-chloranyl-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-5-yl]carbonyl]-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: sodium 2-[[4-chloranyl-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-5-yl]carbonyl]-3-oxidanylidene-cyclohexen-1-olate Openeye Name: sodium 2-(4-chloro-1,1-dioxo-2,3-dihydrobenzothiophene-5-carbonyl)-3-oxo-cyclohexen-1-olate CAS Name: sodium 2-[(4-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)-oxomethyl]-3-oxo-1-cyclohexenolate IUPAC Name: sodium 2-(4-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carbonyl)-3-oxocyclohexen-1-olate Traditional Name: sodium 2-(4-chloro-1,1-diketo-2,3-dihydrobenzothiophene-5-carbonyl)-3-keto-cyclohexen-1-olate Formula: C15H12ClNaO5S MolecularWeight: 362.76055

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=O)C1)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CC3)Cl)[O-].[Na+]

Isomeric SMILES

C1CC(=C(C(=O)C1)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CC3)Cl)[O-].[Na+]

InChI

InChI=1S/C15H13ClO5S.Na/c16-14-8-6-7-22(20,21)12(8)5-4-9(14)15(19)13-10(17)2-1-3-11(13)18;/h4-5,17H,1-3,6-7H2;/q;+1/p-1