phenyl 3-(2-hydroxyphenyl)-4-(phenylmethyl)pyrrole-1-sulfonate

Systemtic Name: phenyl 3-(2-hydroxyphenyl)-4-(phenylmethyl)pyrrole-1-sulfonate Openeye Name: phenyl 3-benzyl-4-(2-hydroxyphenyl)pyrrole-1-sulfonate CAS Name: 3-(2-hydroxyphenyl)-4-(phenylmethyl)-1-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 3-benzyl-4-(2-hydroxyphenyl)pyrrole-1-sulfonate Traditional Name: 3-benzyl-4-(2-hydroxyphenyl)pyrrole-1-sulfonic acid phenyl ester Formula: C23H19NO4S MolecularWeight: 405.46626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CN(C=C2C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2=CN(C=C2C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C23H19NO4S/c25-23-14-8-7-13-21(23)22-17-24(16-19(22)15-18-9-3-1-4-10-18)29(26,27)28-20-11-5-2-6-12-20/h1-14,16-17,25H,15H2