3-[2-[2,6-bis(bromanyl)-4-nitro-phenoxy]ethoxy]-5-methoxy-1-(4-methylphenyl)indazole-4-sulfinate

Systemtic Name: 3-[2-[2,6-bis(bromanyl)-4-nitro-phenoxy]ethoxy]-5-methoxy-1-(4-methylphenyl)indazole-4-sulfinate Openeye Name: 3-[2-(2,6-dibromo-4-nitro-phenoxy)ethoxy]-5-methoxy-1-(p-tolyl)indazole-4-sulfinate CAS Name: 3-[2-(2,6-dibromo-4-nitrophenoxy)ethoxy]-5-methoxy-1-(4-methylphenyl)-4-indazolesulfinate IUPAC Name: 3-[2-(2,6-dibromo-4-nitrophenoxy)ethoxy]-5-methoxy-1-(4-methylphenyl)indazole-4-sulfinate Traditional Name: 3-[2-(2,6-dibromo-4-nitro-phenoxy)ethoxy]-5-methoxy-1-(p-tolyl)indazole-4-sulfinate Formula: C23H18Br2N3O7S- MolecularWeight: 640.27792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=C(C=C3)OC)S(=O)[O-])C(=N2)OCCOC4=C(C=C(C=C4Br)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=C(C=C3)OC)S(=O)[O-])C(=N2)OCCOC4=C(C=C(C=C4Br)[N+](=O)[O-])Br

InChI

InChI=1S/C23H19Br2N3O7S/c1-13-3-5-14(6-4-13)27-18-7-8-19(33-2)22(36(31)32)20(18)23(26-27)35-10-9-34-21-16(24)11-15(28(29)30)12-17(21)25/h3-8,11-12H,9-10H2,1-2H3,(H,31,32)/p-1