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

Systemtic Name: 2-[4-[(E)-2-(4-nitro-2-sulfo-phenyl)ethenyl]-3-sulfo-phenyl]benzo[e]benzotriazole-5-sulfonic acid Openeye Name: 2-[4-[(E)-2-(4-nitro-2-sulfo-phenyl)vinyl]-3-sulfo-phenyl]benzo[e]benzotriazole-5-sulfonic acid CAS Name: 2-[4-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]-5-benzo[e]benzotriazolesulfonic acid IUPAC Name: 2-[4-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]benzo[e]benzotriazole-5-sulfonic acid Traditional Name: 2-[4-[(E)-2-(4-nitro-2-sulfo-phenyl)vinyl]-3-sulfo-phenyl]benzo[e]benzotriazole-5-sulfonic acid Formula: C24H16N4O11S3 MolecularWeight: 632.59904

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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)[N+](=O)[O-])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)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C24H16N4O11S3/c29-28(30)17-10-8-15(22(12-17)41(34,35)36)6-5-14-7-9-16(11-21(14)40(31,32)33)27-25-20-13-23(42(37,38)39)18-3-1-2-4-19(18)24(20)26-27/h1-13H,(H,31,32,33)(H,34,35,36)(H,37,38,39)/b6-5+