3-[2-(2-ethoxyprop-1-enyl)benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[2-(2-ethoxyprop-1-enyl)benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[2-(2-ethoxyprop-1-enyl)benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[2-(2-ethoxyprop-1-enyl)-1-benzo[e][1,3]benzothiazol-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[2-(2-ethoxyprop-1-enyl)benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[2-(2-ethoxyprop-1-enyl)benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate Formula: C19H21NO4S2 MolecularWeight: 391.50434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=CC1=[N+](C2=C(S1)C=CC3=CC=CC=C32)CCCS(=O)(=O)[O-])C

Isomeric SMILES

CCOC(=CC1=[N+](C2=C(S1)C=CC3=CC=CC=C32)CCCS(=O)(=O)[O-])C

InChI

InChI=1S/C19H21NO4S2/c1-3-24-14(2)13-18-20(11-6-12-26(21,22)23)19-16-8-5-4-7-15(16)9-10-17(19)25-18/h4-5,7-10,13H,3,6,11-12H2,1-2H3