5-(2H-benzotriazol-4-yl)-2-[(E)-2-(2-sulfophenyl)ethenyl]benzenesulfonic acid

Systemtic Name: 5-(2H-benzotriazol-4-yl)-2-[(E)-2-(2-sulfophenyl)ethenyl]benzenesulfonic acid Openeye Name: 5-(2H-benzotriazol-4-yl)-2-[(E)-2-(2-sulfophenyl)vinyl]benzenesulfonic acid CAS Name: 5-(2H-benzotriazol-4-yl)-2-[(E)-2-(2-sulfophenyl)ethenyl]benzenesulfonic acid IUPAC Name: 5-(2H-benzotriazol-4-yl)-2-[(E)-2-(2-sulfophenyl)ethenyl]benzenesulfonic acid Traditional Name: 5-(2H-benzotriazol-4-yl)-2-[(E)-2-(2-sulfophenyl)vinyl]besylic acid Formula: C20H15N3O6S2 MolecularWeight: 457.4796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC2=C(C=C(C=C2)C3=CC=CC4=NNN=C43)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C2=C(C=C(C=C2)C3=CC=CC4=NNN=C43)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H15N3O6S2/c24-30(25,26)18-7-2-1-4-13(18)8-9-14-10-11-15(12-19(14)31(27,28)29)16-5-3-6-17-20(16)22-23-21-17/h1-12H,(H,21,22,23)(H,24,25,26)(H,27,28,29)/b9-8+