2-[4-[(E)-2-(4-chloranyl-2-sulfo-phenyl)ethenyl]-3-sulfo-phenyl]benzo[e]benzotriazole-5-sulfonic acid

Systemtic Name: 2-[4-[(E)-2-(4-chloranyl-2-sulfo-phenyl)ethenyl]-3-sulfo-phenyl]benzo[e]benzotriazole-5-sulfonic acid Openeye Name: 2-[4-[(E)-2-(4-chloro-2-sulfo-phenyl)vinyl]-3-sulfo-phenyl]benzo[e]benzotriazole-5-sulfonic acid CAS Name: 2-[4-[(E)-2-(4-chloro-2-sulfophenyl)ethenyl]-3-sulfophenyl]-5-benzo[e]benzotriazolesulfonic acid IUPAC Name: 2-[4-[(E)-2-(4-chloro-2-sulfophenyl)ethenyl]-3-sulfophenyl]benzo[e]benzotriazole-5-sulfonic acid Traditional Name: 2-[4-[(E)-2-(4-chloro-2-sulfo-phenyl)vinyl]-3-sulfo-phenyl]benzo[e]benzotriazole-5-sulfonic acid Formula: C24H16ClN3O9S3 MolecularWeight: 622.04654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC3=NN(N=C23)C4=CC(=C(C=C4)C=CC5=C(C=C(C=C5)Cl)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC3=NN(N=C23)C4=CC(=C(C=C4)/C=C/C5=C(C=C(C=C5)Cl)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C24H16ClN3O9S3/c25-16-9-7-14(21(11-16)38(29,30)31)5-6-15-8-10-17(12-22(15)39(32,33)34)28-26-20-13-23(40(35,36)37)18-3-1-2-4-19(18)24(20)27-28/h1-13H,(H,29,30,31)(H,32,33,34)(H,35,36,37)/b6-5+