4-(3-butoxypropoxy)-5-methoxy-1-(4-methylphenyl)-2H-indazole-4-sulfinate

Systemtic Name: 4-(3-butoxypropoxy)-5-methoxy-1-(4-methylphenyl)-2H-indazole-4-sulfinate Openeye Name: 4-(3-butoxypropoxy)-5-methoxy-1-(p-tolyl)-2H-indazole-4-sulfinate CAS Name: 4-(3-butoxypropoxy)-5-methoxy-1-(4-methylphenyl)-2H-indazole-4-sulfinate IUPAC Name: 4-(3-butoxypropoxy)-5-methoxy-1-(4-methylphenyl)-2H-indazole-4-sulfinate Traditional Name: 4-(3-butoxypropoxy)-5-methoxy-1-(p-tolyl)-2H-indazole-4-sulfinate Formula: C22H29N2O5S- MolecularWeight: 433.54106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCOC1(C(=CC=C2C1=CNN2C3=CC=C(C=C3)C)OC)S(=O)[O-]

Isomeric SMILES

CCCCOCCCOC1(C(=CC=C2C1=CNN2C3=CC=C(C=C3)C)OC)S(=O)[O-]

InChI

InChI=1S/C22H30N2O5S/c1-4-5-13-28-14-6-15-29-22(30(25)26)19-16-23-24(18-9-7-17(2)8-10-18)20(19)11-12-21(22)27-3/h7-12,16,23H,4-6,13-15H2,1-3H3,(H,25,26)/p-1