5-benzo[e]benzotriazol-2-yl-2-[(E)-2-phenyl-2-sulfo-ethenyl]benzenesulfonic acid

Systemtic Name: 5-benzo[e]benzotriazol-2-yl-2-[(E)-2-phenyl-2-sulfo-ethenyl]benzenesulfonic acid Openeye Name: 5-benzo[e]benzotriazol-2-yl-2-[(E)-2-phenyl-2-sulfo-vinyl]benzenesulfonic acid CAS Name: 5-(2-benzo[e]benzotriazolyl)-2-[(E)-2-phenyl-2-sulfoethenyl]benzenesulfonic acid IUPAC Name: 5-benzo[e]benzotriazol-2-yl-2-[(E)-2-phenyl-2-sulfoethenyl]benzenesulfonic acid Traditional Name: 5-benzo[e]benzotriazol-2-yl-2-[(E)-2-phenyl-2-sulfo-vinyl]besylic acid Formula: C24H17N3O6S2 MolecularWeight: 507.53828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=CC2=C(C=C(C=C2)N3N=C4C=CC5=CC=CC=C5C4=N3)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C(=C\C2=C(C=C(C=C2)N3N=C4C=CC5=CC=CC=C5C4=N3)S(=O)(=O)O)/S(=O)(=O)O

InChI

InChI=1S/C24H17N3O6S2/c28-34(29,30)22(17-7-2-1-3-8-17)14-18-10-12-19(15-23(18)35(31,32)33)27-25-21-13-11-16-6-4-5-9-20(16)24(21)26-27/h1-15H,(H,28,29,30)(H,31,32,33)/b22-14+