[2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydrochromen-6-yl] phenyl sulfate

Systemtic Name: [2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydrochromen-6-yl] phenyl sulfate Openeye Name: [3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chroman-6-yl] phenyl sulfate CAS Name: sulfuric acid [3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-6-yl] phenyl ester IUPAC Name: [3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-6-yl] phenyl sulfate Traditional Name: sulfuric acid [3-hydroxy-4-(2-ketopyrrolidino)-2,2-dimethyl-chroman-6-yl] phenyl ester Formula: C21H23NO7S MolecularWeight: 433.47482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)OS(=O)(=O)OC3=CC=CC=C3)N4CCCC4=O)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)OS(=O)(=O)OC3=CC=CC=C3)N4CCCC4=O)O)C

InChI

InChI=1S/C21H23NO7S/c1-21(2)20(24)19(22-12-6-9-18(22)23)16-13-15(10-11-17(16)27-21)29-30(25,26)28-14-7-4-3-5-8-14/h3-5,7-8,10-11,13,19-20,24H,6,9,12H2,1-2H3