5-methoxy-1-(4-methylphenyl)-3-[(4-phenylmethoxyphenyl)methoxy]indazole-4-sulfinic acid

Systemtic Name: 5-methoxy-1-(4-methylphenyl)-3-[(4-phenylmethoxyphenyl)methoxy]indazole-4-sulfinic acid Openeye Name: 3-[(4-benzyloxyphenyl)methoxy]-5-methoxy-1-(p-tolyl)indazole-4-sulfinic acid CAS Name: 5-methoxy-1-(4-methylphenyl)-3-[(4-phenylmethoxyphenyl)methoxy]-4-indazolesulfinic acid IUPAC Name: 5-methoxy-1-(4-methylphenyl)-3-[(4-phenylmethoxyphenyl)methoxy]indazole-4-sulfinic acid Traditional Name: 3-(4-benzoxybenzyl)oxy-5-methoxy-1-(p-tolyl)indazole-4-sulfinic acid Formula: C29H26N2O5S MolecularWeight: 514.59214

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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=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=C(C=C3)OC)S(=O)O)C(=N2)OCC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H26N2O5S/c1-20-8-12-23(13-9-20)31-25-16-17-26(34-2)28(37(32)33)27(25)29(30-31)36-19-22-10-14-24(15-11-22)35-18-21-6-4-3-5-7-21/h3-17H,18-19H2,1-2H3,(H,32,33)