3-(6-methylspiro[[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-ium-2,1'-cyclohexane]-7-yl)propane-1-sulfonate

Systemtic Name: 3-(6-methylspiro[[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-ium-2,1'-cyclohexane]-7-yl)propane-1-sulfonate Openeye Name: 3-(6-methylspiro[[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-ium-2,1'-cyclohexane]-7-yl)propane-1-sulfonate CAS Name: 3-(6-methyl-7-spiro[[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-ium-2,1'-cyclohexane]yl)-1-propanesulfonate IUPAC Name: 3-(6-methylspiro[[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-ium-2,1'-cyclohexane]-7-yl)propane-1-sulfonate Traditional Name: 3-(6-methylspiro[[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-ium-2,1'-cyclohexane]-7-yl)propane-1-sulfonate Formula: C17H21NO5S2 MolecularWeight: 383.48234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC3=C(C=C2S1)OC4(O3)CCCCC4)CCCS(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=CC3=C(C=C2S1)OC4(O3)CCCCC4)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C17H21NO5S2/c1-12-18(8-5-9-25(19,20)21)13-10-14-15(11-16(13)24-12)23-17(22-14)6-3-2-4-7-17/h10-11H,2-9H2,1H3