1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 1,1-dioxo-1,2-benzothiazol-3-one citrate CAS Name: 1,1-dioxo-1,2-benzothiazol-3-one; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 1,1-dioxo-1,2-benzothiazol-3-one; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 1,1-diketo-1,2-benzothiazol-3-one citrate Formula: C13H10NO10S-3 MolecularWeight: 372.2842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NS2(=O)=O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NS2(=O)=O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C7H5NO3S.C6H8O7/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-4H,(H,8,9);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3