sodium 5-benzo[e]benzotriazol-2-yl-2-[(E)-2-phenylethenyl]benzenesulfonic acid

Systemtic Name: sodium 5-benzo[e]benzotriazol-2-yl-2-[(E)-2-phenylethenyl]benzenesulfonic acid Openeye Name: sodium 5-benzo[e]benzotriazol-2-yl-2-[(E)-styryl]benzenesulfonic acid CAS Name: sodium 5-(2-benzo[e]benzotriazolyl)-2-[(E)-2-phenylethenyl]benzenesulfonic acid IUPAC Name: sodium 5-benzo[e]benzotriazol-2-yl-2-[(E)-2-phenylethenyl]benzenesulfonic acid Traditional Name: sodium 5-benzo[e]benzotriazol-2-yl-2-[(E)-styryl]besylic acid Formula: C24H17N3NaO3S+ MolecularWeight: 450.46485

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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.[Na+]

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.[Na+]

InChI

InChI=1S/C24H17N3O3S.Na/c28-31(29,30)23-16-20(14-12-19(23)11-10-17-6-2-1-3-7-17)27-25-22-15-13-18-8-4-5-9-21(18)24(22)26-27;/h1-16H,(H,28,29,30);/q;+1/b11-10+;