3-[2-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate

Systemtic Name: 3-[2-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Openeye Name: 3-[2-[(E)-2-(9-ethylcarbazol-3-yl)vinyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate CAS Name: 3-[2-[(E)-2-(9-ethyl-3-carbazolyl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]-1-propanesulfonate IUPAC Name: 3-[2-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Traditional Name: 3-[2-[(E)-2-(9-ethylcarbazol-3-yl)vinyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Formula: C26H24N2O3S2 MolecularWeight: 476.61036

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C=CC3=[N+](C4=CC=CC=C4S3)CCCS(=O)(=O)[O-])C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)/C=C/C3=[N+](C4=CC=CC=C4S3)CCCS(=O)(=O)[O-])C5=CC=CC=C51

InChI

InChI=1S/C26H24N2O3S2/c1-2-27-22-9-4-3-8-20(22)21-18-19(12-14-23(21)27)13-15-26-28(16-7-17-33(29,30)31)24-10-5-6-11-25(24)32-26/h3-6,8-15,18H,2,7,16-17H2,1H3