dialuminum 2-(1,3-benzothiazol-2-yl)-4-oxidanidyl-4-sulfanylidene-butanoate

Systemtic Name: dialuminum 2-(1,3-benzothiazol-2-yl)-4-oxidanidyl-4-sulfanylidene-butanoate Openeye Name: dialuminum 2-(1,3-benzothiazol-2-yl)-4-oxido-4-thioxo-butanoate CAS Name: dialuminum 2-(1,3-benzothiazol-2-yl)-4-oxido-4-sulfanylidenebutanoate IUPAC Name: dialuminum 2-(1,3-benzothiazol-2-yl)-4-oxido-4-sulfanylidenebutanoate Traditional Name: dialuminum 2-(1,3-benzothiazol-2-yl)-4-oxido-4-thioxo-butyrate Formula: C33H21Al2N3O9S6 MolecularWeight: 849.887616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(CC(=S)[O-])C(=O)[O-].C1=CC=C2C(=C1)N=C(S2)C(CC(=S)[O-])C(=O)[O-].C1=CC=C2C(=C1)N=C(S2)C(CC(=S)[O-])C(=O)[O-].[Al+3].[Al+3]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(CC(=S)[O-])C(=O)[O-].C1=CC=C2C(=C1)N=C(S2)C(CC(=S)[O-])C(=O)[O-].C1=CC=C2C(=C1)N=C(S2)C(CC(=S)[O-])C(=O)[O-].[Al+3].[Al+3]

InChI

InChI=1S/3C11H9NO3S2.2Al/c3*13-9(16)5-6(11(14)15)10-12-7-3-1-2-4-8(7)17-10;;/h3*1-4,6H,5H2,(H,13,16)(H,14,15);;/q;;;2*+3/p-6