5-methyl-2-phenyl-1-(3-sulfophenyl)pyrrole-3-carboxylic acid

Systemtic Name: 5-methyl-2-phenyl-1-(3-sulfophenyl)pyrrole-3-carboxylic acid Openeye Name: 5-methyl-2-phenyl-1-(3-sulfophenyl)pyrrole-3-carboxylic acid CAS Name: 5-methyl-2-phenyl-1-(3-sulfophenyl)-3-pyrrolecarboxylic acid IUPAC Name: 5-methyl-2-phenyl-1-(3-sulfophenyl)pyrrole-3-carboxylic acid Traditional Name: 5-methyl-2-phenyl-1-(3-sulfophenyl)pyrrole-3-carboxylic acid Formula: C18H15NO5S MolecularWeight: 357.3804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H15NO5S/c1-12-10-16(18(20)21)17(13-6-3-2-4-7-13)19(12)14-8-5-9-15(11-14)25(22,23)24/h2-11H,1H3,(H,20,21)(H,22,23,24)