1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate; gold(3+); 2-(phenylmethyl)pyridine

Systemtic Name: 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate; gold(3+); 2-(phenylmethyl)pyridine Openeye Name: 1,1-dioxo-1,2-benzothiazol-3-olate; gold(3+); 2-(phenylmethyl)pyridine CAS Name: 1,1-dioxo-1,2-benzothiazol-3-olate; gold(3+); 2-(phenylmethyl)pyridine IUPAC Name: 1,1-dioxo-1,2-benzothiazol-3-olate; gold(3+); 2-(phenylmethyl)pyridine Traditional Name: 2-(benzyl)pyridine; 1,1-diketo-1,2-benzothiazol-3-olate; gold(3+) Formula: C26H18AuN3O6S2 MolecularWeight: 729.53417

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].C1=CC=NC(=C1)CC2=C[C-]=CC=C2.[Au+3]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].C1=CC=NC(=C1)CC2=C[C-]=CC=C2.[Au+3]

InChI

InChI=1S/C12H10N.2C7H5NO3S.Au/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;2*9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h1-2,4-9H,10H2;2*1-4H,(H,8,9);/q-1;;;+3/p-2