4-[2-[(1E,3E)-4-ethoxy-3-methyl-buta-1,3-dienyl]-6-methyl-1,3-benzothiazol-3-ium-3-yl]butane-1-sulfonic acid

Systemtic Name: 4-[2-[(1E,3E)-4-ethoxy-3-methyl-buta-1,3-dienyl]-6-methyl-1,3-benzothiazol-3-ium-3-yl]butane-1-sulfonic acid Openeye Name: 4-[2-[(1E,3E)-4-ethoxy-3-methyl-buta-1,3-dienyl]-6-methyl-1,3-benzothiazol-3-ium-3-yl]butane-1-sulfonic acid CAS Name: 4-[2-[(1E,3E)-4-ethoxy-3-methylbuta-1,3-dienyl]-6-methyl-1,3-benzothiazol-3-ium-3-yl]-1-butanesulfonic acid IUPAC Name: 4-[2-[(1E,3E)-4-ethoxy-3-methylbuta-1,3-dienyl]-6-methyl-1,3-benzothiazol-3-ium-3-yl]butane-1-sulfonic acid Traditional Name: 4-[2-[(1E,3E)-4-ethoxy-3-methyl-buta-1,3-dienyl]-6-methyl-1,3-benzothiazol-3-ium-3-yl]butane-1-sulfonic acid Formula: C19H26NO4S2+ MolecularWeight: 396.54404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC=C(C)C=CC1=[N+](C2=C(S1)C=C(C=C2)C)CCCCS(=O)(=O)O

Isomeric SMILES

CCO/C=C(\C)/C=C/C1=[N+](C2=C(S1)C=C(C=C2)C)CCCCS(=O)(=O)O

InChI

InChI=1S/C19H25NO4S2/c1-4-24-14-16(3)8-10-19-20(11-5-6-12-26(21,22)23)17-9-7-15(2)13-18(17)25-19/h7-10,13-14H,4-6,11-12H2,1-3H3/p+1/b10-8+,16-14+