diphenyl 1-(2-methylpropyl)pyrrole-3,4-disulfonate

Systemtic Name: diphenyl 1-(2-methylpropyl)pyrrole-3,4-disulfonate Openeye Name: diphenyl 1-isobutylpyrrole-3,4-disulfonate CAS Name: 1-(2-methylpropyl)pyrrole-3,4-disulfonic acid diphenyl ester IUPAC Name: diphenyl 1-(2-methylpropyl)pyrrole-3,4-disulfonate Traditional Name: 1-isobutylpyrrole-3,4-disulfonic acid diphenyl ester Formula: C20H21NO6S2 MolecularWeight: 435.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C20H21NO6S2/c1-16(2)13-21-14-19(28(22,23)26-17-9-5-3-6-10-17)20(15-21)29(24,25)27-18-11-7-4-8-12-18/h3-12,14-16H,13H2,1-2H3