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

Systemtic Name: phenyl 2-[3-phenoxysulfonyl-4-[(E)-2-phenylethenyl]phenyl]benzo[e]benzotriazole-6-sulfonate Openeye Name: phenyl 2-[3-phenoxysulfonyl-4-[(E)-styryl]phenyl]benzo[e]benzotriazole-6-sulfonate CAS Name: 2-[3-phenoxysulfonyl-4-[(E)-2-phenylethenyl]phenyl]-6-benzo[e]benzotriazolesulfonic acid phenyl ester IUPAC Name: phenyl 2-[3-phenoxysulfonyl-4-[(E)-2-phenylethenyl]phenyl]benzo[e]benzotriazole-6-sulfonate Traditional Name: 2-[3-phenoxysulfonyl-4-[(E)-styryl]phenyl]benzo[e]benzotriazole-6-sulfonic acid phenyl ester Formula: C36H25N3O6S2 MolecularWeight: 659.7302

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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)OC6=CC=CC=C6)S(=O)(=O)OC7=CC=CC=C7

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)OC6=CC=CC=C6)S(=O)(=O)OC7=CC=CC=C7

InChI

InChI=1S/C36H25N3O6S2/c40-46(41,44-29-13-6-2-7-14-29)34-18-10-17-32-31(34)23-24-33-36(32)38-39(37-33)28-22-21-27(20-19-26-11-4-1-5-12-26)35(25-28)47(42,43)45-30-15-8-3-9-16-30/h1-25H/b20-19+