3-azanylperoxysulfanyl-4-phenoxy-5-pyrrolidin-1-yl-benzoic acid

Systemtic Name: 3-azanylperoxysulfanyl-4-phenoxy-5-pyrrolidin-1-yl-benzoic acid Openeye Name: 3-aminoperoxysulfanyl-4-phenoxy-5-pyrrolidin-1-yl-benzoic acid CAS Name: 3-(aminodioxythio)-4-phenoxy-5-(1-pyrrolidinyl)benzoic acid IUPAC Name: 3-aminoperoxysulfanyl-4-phenoxy-5-pyrrolidin-1-ylbenzoic acid Traditional Name: 3-(aminoperoxythio)-4-phenoxy-5-pyrrolidino-benzoic acid Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)SOON)OC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)SOON)OC3=CC=CC=C3

InChI

InChI=1S/C17H18N2O5S/c18-23-24-25-15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)22-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9,18H2,(H,20,21)