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

Systemtic Name: diphenyl (3E)-3-(phenylmethylidene)-6-propan-2-ylsulfonyl-1H-isoindole-2,5-disulfonate Openeye Name: diphenyl (3E)-3-benzylidene-6-isopropylsulfonyl-isoindoline-2,5-disulfonate CAS Name: (3E)-3-(phenylmethylene)-6-propan-2-ylsulfonyl-1H-isoindole-2,5-disulfonic acid diphenyl ester IUPAC Name: diphenyl (3E)-3-benzylidene-6-propan-2-ylsulfonyl-1H-isoindole-2,5-disulfonate Traditional Name: (3E)-3-benzal-6-isopropylsulfonyl-isoindoline-2,5-disulfonic acid diphenyl ester Formula: C30H27NO8S3 MolecularWeight: 625.73228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=C2C(=C1)CN(C2=CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=C\2C(=C1)CN(/C2=C/C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C30H27NO8S3/c1-22(2)40(32,33)29-19-24-21-31(42(36,37)39-26-16-10-5-11-17-26)28(18-23-12-6-3-7-13-23)27(24)20-30(29)41(34,35)38-25-14-8-4-9-15-25/h3-20,22H,21H2,1-2H3/b28-18+