2-[(2E)-2-[(E)-[3-(2-sulfoethyl)-1,3-benzothiazol-2-ylidene]hydrazinylidene]-1,3-benzothiazol-3-yl]ethanesulfonic acid

Systemtic Name: 2-[(2E)-2-[(E)-[3-(2-sulfoethyl)-1,3-benzothiazol-2-ylidene]hydrazinylidene]-1,3-benzothiazol-3-yl]ethanesulfonic acid Openeye Name: 2-[(2E)-2-[(E)-[3-(2-sulfoethyl)-1,3-benzothiazol-2-ylidene]hydrazono]-1,3-benzothiazol-3-yl]ethanesulfonic acid CAS Name: 2-[(2E)-2-[(E)-[3-(2-sulfoethyl)-1,3-benzothiazol-2-ylidene]hydrazinylidene]-1,3-benzothiazol-3-yl]ethanesulfonic acid IUPAC Name: 2-[(2E)-2-[(E)-[3-(2-sulfoethyl)-1,3-benzothiazol-2-ylidene]hydrazinylidene]-1,3-benzothiazol-3-yl]ethanesulfonic acid Traditional Name: 2-[(2E)-2-[(E)-[3-(2-sulfoethyl)-1,3-benzothiazol-2-ylidene]hydrazono]-1,3-benzothiazol-3-yl]ethanesulfonic acid Formula: C18H18N4O6S4 MolecularWeight: 514.61872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=NN=C3N(C4=CC=CC=C4S3)CCS(=O)(=O)O)S2)CCS(=O)(=O)O

Isomeric SMILES

C1=CC=C2S/C(=N/N=C\3/SC4=CC=CC=C4N3CCS(=O)(=O)O)/N(C2=C1)CCS(=O)(=O)O

InChI

InChI=1S/C18H18N4O6S4/c23-31(24,25)11-9-21-13-5-1-3-7-15(13)29-17(21)19-20-18-22(10-12-32(26,27)28)14-6-2-4-8-16(14)30-18/h1-8H,9-12H2,(H,23,24,25)(H,26,27,28)/b19-17+,20-18+