aluminum 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-4-phenoxy-butanoate

Systemtic Name: aluminum 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-4-phenoxy-butanoate Openeye Name: aluminum 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-4-phenoxy-butanoate CAS Name: aluminum 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-oxo-4-phenoxybutanoate IUPAC Name: aluminum 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-4-phenoxybutanoate Traditional Name: aluminum 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-keto-4-phenoxy-butyrate Formula: C18H14AlNO4S2+2 MolecularWeight: 399.419598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C(CC(=O)[O-])CSC2=NC3=CC=CC=C3S2.[Al+3]

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C(CC(=O)[O-])CSC2=NC3=CC=CC=C3S2.[Al+3]

InChI

InChI=1S/C18H15NO4S2.Al/c20-16(21)10-12(17(22)23-13-6-2-1-3-7-13)11-24-18-19-14-8-4-5-9-15(14)25-18;/h1-9,12H,10-11H2,(H,20,21);/q;+3/p-1