phenyl 4-iodanyl-1-(phenylmethyl)pyrrole-3-sulfonate

Systemtic Name: phenyl 4-iodanyl-1-(phenylmethyl)pyrrole-3-sulfonate Openeye Name: phenyl 1-benzyl-4-iodo-pyrrole-3-sulfonate CAS Name: 4-iodo-1-(phenylmethyl)-3-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 1-benzyl-4-iodopyrrole-3-sulfonate Traditional Name: 1-benzyl-4-iodo-pyrrole-3-sulfonic acid phenyl ester Formula: C17H14INO3S MolecularWeight: 439.26743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=C2)I)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=C2)I)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C17H14INO3S/c18-16-12-19(11-14-7-3-1-4-8-14)13-17(16)23(20,21)22-15-9-5-2-6-10-15/h1-10,12-13H,11H2