2-(2H-benzotriazol-4-yl)-5-[(E)-2-(3-sulfophenyl)ethenyl]benzenesulfonic acid

Systemtic Name: 2-(2H-benzotriazol-4-yl)-5-[(E)-2-(3-sulfophenyl)ethenyl]benzenesulfonic acid Openeye Name: 2-(2H-benzotriazol-4-yl)-5-[(E)-2-(3-sulfophenyl)vinyl]benzenesulfonic acid CAS Name: 2-(2H-benzotriazol-4-yl)-5-[(E)-2-(3-sulfophenyl)ethenyl]benzenesulfonic acid IUPAC Name: 2-(2H-benzotriazol-4-yl)-5-[(E)-2-(3-sulfophenyl)ethenyl]benzenesulfonic acid Traditional Name: 2-(2H-benzotriazol-4-yl)-5-[(E)-2-(3-sulfophenyl)vinyl]besylic acid Formula: C20H15N3O6S2 MolecularWeight: 457.4796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O6S2/c24-30(25,26)15-4-1-3-13(11-15)7-8-14-9-10-16(19(12-14)31(27,28)29)17-5-2-6-18-20(17)22-23-21-18/h1-12H,(H,21,22,23)(H,24,25,26)(H,27,28,29)/b8-7+