disodium 2-[2-[(E)-2-phenylethenyl]-5-sulfonato-phenyl]benzo[e]benzotriazole-7-sulfonate

Systemtic Name: disodium 2-[2-[(E)-2-phenylethenyl]-5-sulfonato-phenyl]benzo[e]benzotriazole-7-sulfonate Openeye Name: disodium 2-[2-[(E)-styryl]-5-sulfonato-phenyl]benzo[e]benzotriazole-7-sulfonate CAS Name: disodium 2-[2-[(E)-2-phenylethenyl]-5-sulfonatophenyl]-7-benzo[e]benzotriazolesulfonate IUPAC Name: disodium 2-[2-[(E)-2-phenylethenyl]-5-sulfonatophenyl]benzo[e]benzotriazole-7-sulfonate Traditional Name: disodium 2-[2-[(E)-styryl]-5-sulfonato-phenyl]benzo[e]benzotriazole-7-sulfonate Formula: C24H15N3Na2O6S2 MolecularWeight: 551.50194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=C(C=C(C=C2)S(=O)(=O)[O-])N3N=C4C=CC5=C(C4=N3)C=CC(=C5)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=C(C=C(C=C2)S(=O)(=O)[O-])N3N=C4C=CC5=C(C4=N3)C=CC(=C5)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C24H17N3O6S2.2Na/c28-34(29,30)19-11-12-21-18(14-19)9-13-22-24(21)26-27(25-22)23-15-20(35(31,32)33)10-8-17(23)7-6-16-4-2-1-3-5-16;;/h1-15H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/b7-6+;;