copper; 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one; 4-methylbenzenesulfinate

Systemtic Name: copper; 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one; 4-methylbenzenesulfinate Openeye Name: copper; 1,1-dioxo-1,2-benzothiazol-3-one; 4-methylbenzenesulfinate CAS Name: copper; 1,1-dioxo-1,2-benzothiazol-3-one; 4-methylbenzenesulfinate IUPAC Name: copper; 1,1-dioxo-1,2-benzothiazol-3-one; 4-methylbenzenesulfinate Traditional Name: cupric; 1,1-diketo-1,2-benzothiazol-3-one; 4-methylbenzenesulfinate Formula: C21H19CuNO7S3 MolecularWeight: 557.11906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)[O-].CC1=CC=C(C=C1)S(=O)[O-].C1=CC=C2C(=C1)C(=O)NS2(=O)=O.[Cu+2]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)[O-].CC1=CC=C(C=C1)S(=O)[O-].C1=CC=C2C(=C1)C(=O)NS2(=O)=O.[Cu+2]

InChI

InChI=1S/C7H5NO3S.2C7H8O2S.Cu/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;2*1-6-2-4-7(5-3-6)10(8)9;/h1-4H,(H,8,9);2*2-5H,1H3,(H,8,9);/q;;;+2/p-2