1-(1,3-benzothiazol-2-yl)-11-sulfanyl-dodecane-1,12-disulfonic acid

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-11-sulfanyl-dodecane-1,12-disulfonic acid Openeye Name: 1-(1,3-benzothiazol-2-yl)-11-sulfanyl-dodecane-1,12-disulfonic acid CAS Name: 1-(1,3-benzothiazol-2-yl)-11-mercaptododecane-1,12-disulfonic acid IUPAC Name: 1-(1,3-benzothiazol-2-yl)-11-sulfanyldodecane-1,12-disulfonic acid Traditional Name: 1-(1,3-benzothiazol-2-yl)-11-mercapto-dodecane-1,12-disulfonic acid Formula: C19H29NO6S4 MolecularWeight: 495.69666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(CCCCCCCCCC(CS(=O)(=O)O)S)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(CCCCCCCCCC(CS(=O)(=O)O)S)S(=O)(=O)O

InChI

InChI=1S/C19H29NO6S4/c21-29(22,23)14-15(27)10-6-4-2-1-3-5-7-13-18(30(24,25)26)19-20-16-11-8-9-12-17(16)28-19/h8-9,11-12,15,18,27H,1-7,10,13-14H2,(H,21,22,23)(H,24,25,26)