3-[2-[3-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-methoxy-prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonic acid

Systemtic Name: 3-[2-[3-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-methoxy-prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonic acid Openeye Name: 3-[2-[3-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-methoxy-prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonic acid CAS Name: 3-[2-[3-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-methoxyprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]-1-propanesulfonic acid IUPAC Name: 3-[2-[3-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-methoxyprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonic acid Traditional Name: 3-[2-[3-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-methoxy-prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonic acid Formula: C23H25N2O4S3+ MolecularWeight: 489.6506

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC(=CC3=[N+](C4=CC=CC=C4S3)CCCS(=O)(=O)O)OC

Isomeric SMILES

CCN1C2=CC=CC=C2SC1=CC(=CC3=[N+](C4=CC=CC=C4S3)CCCS(=O)(=O)O)OC

InChI

InChI=1S/C23H24N2O4S3/c1-3-24-18-9-4-6-11-20(18)30-22(24)15-17(29-2)16-23-25(13-8-14-32(26,27)28)19-10-5-7-12-21(19)31-23/h4-7,9-12,15-16H,3,8,13-14H2,1-2H3/p+1