disodium 2-[4-[(E)-2-phenylethenyl]-3-sulfonato-phenyl]benzo[e]benzotriazole-6-sulfonate

Systemtic Name: disodium 2-[4-[(E)-2-phenylethenyl]-3-sulfonato-phenyl]benzo[e]benzotriazole-6-sulfonate Openeye Name: disodium 2-[4-[(E)-styryl]-3-sulfonato-phenyl]benzo[e]benzotriazole-6-sulfonate CAS Name: disodium 2-[4-[(E)-2-phenylethenyl]-3-sulfonatophenyl]-6-benzo[e]benzotriazolesulfonate IUPAC Name: disodium 2-[4-[(E)-2-phenylethenyl]-3-sulfonatophenyl]benzo[e]benzotriazole-6-sulfonate Traditional Name: disodium 2-[4-[(E)-styryl]-3-sulfonato-phenyl]benzo[e]benzotriazole-6-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)N3N=C4C=CC5=C(C4=N3)C=CC=C5S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=C(C=C(C=C2)N3N=C4C=CC5=C(C4=N3)C=CC=C5S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C24H17N3O6S2.2Na/c28-34(29,30)22-8-4-7-20-19(22)13-14-21-24(20)26-27(25-21)18-12-11-17(23(15-18)35(31,32)33)10-9-16-5-2-1-3-6-16;;/h1-15H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/b10-9+;;