[7-(phenylsulfanylperoxyamino)-3,4-dihydro-2H-chromen-2-yl]methyl benzenesulfonate

Systemtic Name: [7-(phenylsulfanylperoxyamino)-3,4-dihydro-2H-chromen-2-yl]methyl benzenesulfonate Openeye Name: [7-(phenylsulfanylperoxyamino)chroman-2-yl]methyl benzenesulfonate CAS Name: benzenesulfonic acid [7-[(phenylthio)dioxyamino]-3,4-dihydro-2H-1-benzopyran-2-yl]methyl ester IUPAC Name: [7-(phenylsulfanylperoxyamino)-3,4-dihydro-2H-chromen-2-yl]methyl benzenesulfonate Traditional Name: benzenesulfonic acid [7-[(phenylthio)peroxyamino]chroman-2-yl]methyl ester Formula: C22H21NO6S2 MolecularWeight: 459.53524

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)NOOSC3=CC=CC=C3)OC1COS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C=C(C=C2)NOOSC3=CC=CC=C3)OC1COS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21NO6S2/c24-31(25,21-9-5-2-6-10-21)26-16-19-14-12-17-11-13-18(15-22(17)27-19)23-28-29-30-20-7-3-1-4-8-20/h1-11,13,15,19,23H,12,14,16H2