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

Systemtic Name: diphenyl (1E)-6-methoxy-1-(phenylmethylidene)-3H-isoindole-2,5-disulfonate Openeye Name: diphenyl (1E)-1-benzylidene-6-methoxy-isoindoline-2,5-disulfonate CAS Name: (1E)-6-methoxy-1-(phenylmethylene)-3H-isoindole-2,5-disulfonic acid diphenyl ester IUPAC Name: diphenyl (1E)-1-benzylidene-6-methoxy-3H-isoindole-2,5-disulfonate Traditional Name: (1E)-1-benzal-6-methoxy-isoindoline-2,5-disulfonic acid diphenyl ester Formula: C28H23NO7S2 MolecularWeight: 549.61472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(C(=CC3=CC=CC=C3)C2=C1)S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C2CN(/C(=C/C3=CC=CC=C3)/C2=C1)S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C28H23NO7S2/c1-34-27-19-25-22(18-28(27)37(30,31)35-23-13-7-3-8-14-23)20-29(26(25)17-21-11-5-2-6-12-21)38(32,33)36-24-15-9-4-10-16-24/h2-19H,20H2,1H3/b26-17+