4-[[2,3-bis(3-azanylphenoxy)phenyl]methyl]benzenesulfonic acid

Systemtic Name: 4-[[2,3-bis(3-azanylphenoxy)phenyl]methyl]benzenesulfonic acid Openeye Name: 4-[[2,3-bis(3-aminophenoxy)phenyl]methyl]benzenesulfonic acid CAS Name: 4-[[2,3-bis(3-aminophenoxy)phenyl]methyl]benzenesulfonic acid IUPAC Name: 4-[[2,3-bis(3-aminophenoxy)phenyl]methyl]benzenesulfonic acid Traditional Name: 4-[2,3-bis(3-aminophenoxy)benzyl]besylic acid Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=CC=CC(=C2OC3=CC=CC(=C3)N)CC4=CC=C(C=C4)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=CC(=C1)OC2=CC=CC(=C2OC3=CC=CC(=C3)N)CC4=CC=C(C=C4)S(=O)(=O)O)N

InChI

InChI=1S/C25H22N2O5S/c26-19-5-2-7-21(15-19)31-24-9-1-4-18(25(24)32-22-8-3-6-20(27)16-22)14-17-10-12-23(13-11-17)33(28,29)30/h1-13,15-16H,14,26-27H2,(H,28,29,30)