disodium 2-(1,3-benzothiazol-2-yl)-2-methyl-butanebis(thioate)

Systemtic Name: disodium 2-(1,3-benzothiazol-2-yl)-2-methyl-butanebis(thioate) Openeye Name: disodium 2-(1,3-benzothiazol-2-yl)-2-methyl-butanebis(thioate) CAS Name: disodium 2-(1,3-benzothiazol-2-yl)-2-methylbutanebis(thioate) IUPAC Name: disodium 2-(1,3-benzothiazol-2-yl)-2-methylbutanebis(thioate) Traditional Name: disodium 2-(1,3-benzothiazol-2-yl)-2-methyl-butanebis(thioate) Formula: C12H9NNa2O2S3 MolecularWeight: 341.3799

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=S)[O-])(C1=NC2=CC=CC=C2S1)C(=S)[O-].[Na+].[Na+]

Isomeric SMILES

CC(CC(=S)[O-])(C1=NC2=CC=CC=C2S1)C(=S)[O-].[Na+].[Na+]

InChI

InChI=1S/C12H11NO2S3.2Na/c1-12(11(15)17,6-9(14)16)10-13-7-4-2-3-5-8(7)18-10;;/h2-5H,6H2,1H3,(H,14,16)(H,15,17);;/q;2*+1/p-2