3-ethyl-2-[(3-ethyl-6-sulfo-2H-1,3-benzothiazol-2-yl)amino]-2H-1,3-benzothiazole-6-sulfonic acid

Systemtic Name: 3-ethyl-2-[(3-ethyl-6-sulfo-2H-1,3-benzothiazol-2-yl)amino]-2H-1,3-benzothiazole-6-sulfonic acid Openeye Name: 3-ethyl-2-[(3-ethyl-6-sulfo-2H-1,3-benzothiazol-2-yl)amino]-2H-1,3-benzothiazole-6-sulfonic acid CAS Name: 3-ethyl-2-[(3-ethyl-6-sulfo-2H-1,3-benzothiazol-2-yl)amino]-2H-1,3-benzothiazole-6-sulfonic acid IUPAC Name: 3-ethyl-2-[(3-ethyl-6-sulfo-2H-1,3-benzothiazol-2-yl)amino]-2H-1,3-benzothiazole-6-sulfonic acid Traditional Name: 3-ethyl-2-[(3-ethyl-6-sulfo-2H-1,3-benzothiazol-2-yl)amino]-2H-1,3-benzothiazole-6-sulfonic acid Formula: C18H21N3O6S4 MolecularWeight: 503.63584

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(SC2=C1C=CC(=C2)S(=O)(=O)O)NC3N(C4=C(S3)C=C(C=C4)S(=O)(=O)O)CC

Isomeric SMILES

CCN1C(SC2=C1C=CC(=C2)S(=O)(=O)O)NC3N(C4=C(S3)C=C(C=C4)S(=O)(=O)O)CC

InChI

InChI=1S/C18H21N3O6S4/c1-3-20-13-7-5-11(30(22,23)24)9-15(13)28-17(20)19-18-21(4-2)14-8-6-12(31(25,26)27)10-16(14)29-18/h5-10,17-19H,3-4H2,1-2H3,(H,22,23,24)(H,25,26,27)