3-[2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate

Systemtic Name: 3-[2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Openeye Name: 3-[2-[3-(1,3,3-trimethylindolin-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate CAS Name: 3-[2-[3-(1,3,3-trimethyl-2-indolylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]-1-propanesulfonate IUPAC Name: 3-[2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Traditional Name: 3-[2-[3-(1,3,3-trimethylindolin-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Formula: C24H26N2O3S2 MolecularWeight: 454.60484

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC=CC3=[N+](C4=CC=CC=C4S3)CCCS(=O)(=O)[O-])C)C

Isomeric SMILES

CC1(C2=CC=CC=C2N(C1=CC=CC3=[N+](C4=CC=CC=C4S3)CCCS(=O)(=O)[O-])C)C

InChI

InChI=1S/C24H26N2O3S2/c1-24(2)18-10-4-5-11-19(18)25(3)22(24)14-8-15-23-26(16-9-17-31(27,28)29)20-12-6-7-13-21(20)30-23/h4-8,10-15H,9,16-17H2,1-3H3