(3E)-3-(phenylmethylidene)-2-propan-2-ylsulfonyl-1H-isoindole-5,6-diol

Systemtic Name: (3E)-3-(phenylmethylidene)-2-propan-2-ylsulfonyl-1H-isoindole-5,6-diol Openeye Name: (1E)-1-benzylidene-2-isopropylsulfonyl-isoindoline-5,6-diol CAS Name: (3E)-3-(phenylmethylene)-2-propan-2-ylsulfonyl-1H-isoindole-5,6-diol IUPAC Name: (3E)-3-benzylidene-2-propan-2-ylsulfonyl-1H-isoindole-5,6-diol Traditional Name: (1E)-1-benzal-2-isopropylsulfonyl-isoindoline-5,6-diol Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1CC2=CC(=C(C=C2C1=CC3=CC=CC=C3)O)O

Isomeric SMILES

CC(C)S(=O)(=O)N\1CC2=CC(=C(C=C2/C1=C\C3=CC=CC=C3)O)O

InChI

InChI=1S/C18H19NO4S/c1-12(2)24(22,23)19-11-14-9-17(20)18(21)10-15(14)16(19)8-13-6-4-3-5-7-13/h3-10,12,20-21H,11H2,1-2H3/b16-8+