phenyl 4-(2-hydroxyphenyl)-1-propan-2-ylsulfonyl-pyrrole-3-sulfonate

Systemtic Name: phenyl 4-(2-hydroxyphenyl)-1-propan-2-ylsulfonyl-pyrrole-3-sulfonate Openeye Name: phenyl 4-(2-hydroxyphenyl)-1-isopropylsulfonyl-pyrrole-3-sulfonate CAS Name: 4-(2-hydroxyphenyl)-1-propan-2-ylsulfonyl-3-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 4-(2-hydroxyphenyl)-1-propan-2-ylsulfonylpyrrole-3-sulfonate Traditional Name: 4-(2-hydroxyphenyl)-1-isopropylsulfonyl-pyrrole-3-sulfonic acid phenyl ester Formula: C19H19NO6S2 MolecularWeight: 421.48726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)C3=CC=CC=C3O

Isomeric SMILES

CC(C)S(=O)(=O)N1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)C3=CC=CC=C3O

InChI

InChI=1S/C19H19NO6S2/c1-14(2)27(22,23)20-12-17(16-10-6-7-11-18(16)21)19(13-20)28(24,25)26-15-8-4-3-5-9-15/h3-14,21H,1-2H3