4-[2-(4-phenylazanylbuta-1,3-dienyl)benzo[f][1,3]benzothiazol-3-ium-3-yl]butane-2-sulfonate

Systemtic Name: 4-[2-(4-phenylazanylbuta-1,3-dienyl)benzo[f][1,3]benzothiazol-3-ium-3-yl]butane-2-sulfonate Openeye Name: 4-[2-(4-anilinobuta-1,3-dienyl)benzo[f][1,3]benzothiazol-3-ium-3-yl]butane-2-sulfonate CAS Name: 4-[2-(4-anilinobuta-1,3-dienyl)-3-benzo[f][1,3]benzothiazol-3-iumyl]-2-butanesulfonate IUPAC Name: 4-[2-(4-anilinobuta-1,3-dienyl)benzo[f][1,3]benzothiazol-3-ium-3-yl]butane-2-sulfonate Traditional Name: 4-[2-(4-anilinobuta-1,3-dienyl)benzo[f][1,3]benzothiazol-3-ium-3-yl]butane-2-sulfonate Formula: C25H24N2O3S2 MolecularWeight: 464.59966

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[N+]1=C(SC2=CC3=CC=CC=C3C=C21)C=CC=CNC4=CC=CC=C4)S(=O)(=O)[O-]

Isomeric SMILES

CC(CC[N+]1=C(SC2=CC3=CC=CC=C3C=C21)C=CC=CNC4=CC=CC=C4)S(=O)(=O)[O-]

InChI

InChI=1S/C25H24N2O3S2/c1-19(32(28,29)30)14-16-27-23-17-20-9-5-6-10-21(20)18-24(23)31-25(27)13-7-8-15-26-22-11-3-2-4-12-22/h2-13,15,17-19H,14,16H2,1H3,(H,28,29,30)