dicopper; azane; methanol; (4-methyl-1,3-benzothiazol-2-yl)-(phenylsulfonyl)azanide

Systemtic Name: dicopper; azane; methanol; (4-methyl-1,3-benzothiazol-2-yl)-(phenylsulfonyl)azanide Openeye Name: dicopper; ammonia; benzenesulfonyl-(4-methyl-1,3-benzothiazol-2-yl)azanide; methanol CAS Name: dicopper; ammonia; benzenesulfonyl-(4-methyl-1,3-benzothiazol-2-yl)azanide; methanol IUPAC Name: dicopper; azane; benzenesulfonyl-(4-methyl-1,3-benzothiazol-2-yl)azanide; methanol Traditional Name: dicupric; ammonia; besyl-(4-methyl-1,3-benzothiazol-2-yl)azanide; methanol Formula: C30H36Cu2N6O6S4+2 MolecularWeight: 831.99544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)[N-]S(=O)(=O)C3=CC=CC=C3.CC1=C2C(=CC=C1)SC(=N2)[N-]S(=O)(=O)C3=CC=CC=C3.CO.CO.N.N.[Cu+2].[Cu+2]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)[N-]S(=O)(=O)C3=CC=CC=C3.CC1=C2C(=CC=C1)SC(=N2)[N-]S(=O)(=O)C3=CC=CC=C3.CO.CO.N.N.[Cu+2].[Cu+2]

InChI

InChI=1S/2C14H11N2O2S2.2CH4O.2Cu.2H3N/c2*1-10-6-5-9-12-13(10)15-14(19-12)16-20(17,18)11-7-3-2-4-8-11;2*1-2;;;;/h2*2-9H,1H3;2*2H,1H3;;;2*1H3/q2*-1;;;2*+2;;