5-methoxy-1-(4-methylphenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]indazole-4-sulfinic acid

Systemtic Name: 5-methoxy-1-(4-methylphenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]indazole-4-sulfinic acid Openeye Name: 5-methoxy-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-1-(p-tolyl)indazole-4-sulfinic acid CAS Name: 5-methoxy-1-(4-methylphenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-4-indazolesulfinic acid IUPAC Name: 5-methoxy-1-(4-methylphenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]indazole-4-sulfinic acid Traditional Name: 5-methoxy-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-1-(p-tolyl)indazole-4-sulfinic acid Formula: C24H21N3O8S MolecularWeight: 511.50384

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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)OCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=C(C=C3)OC)S(=O)O)C(=N2)OCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C24H21N3O8S/c1-14-3-5-17(6-4-14)26-19-7-8-20(32-2)23(36(30)31)21(19)24(25-26)34-12-16-10-18(27(28)29)9-15-11-33-13-35-22(15)16/h3-10H,11-13H2,1-2H3,(H,30,31)