4-(2-oxidanylidene-4-pentadecyl-3H-pyrrol-1-yl)benzenesulfonic acid

Systemtic Name: 4-(2-oxidanylidene-4-pentadecyl-3H-pyrrol-1-yl)benzenesulfonic acid Openeye Name: 4-(2-oxo-4-pentadecyl-3H-pyrrol-1-yl)benzenesulfonic acid CAS Name: 4-(2-oxo-4-pentadecyl-3H-pyrrol-1-yl)benzenesulfonic acid IUPAC Name: 4-(2-oxo-4-pentadecyl-3H-pyrrol-1-yl)benzenesulfonic acid Traditional Name: 4-(2-keto-4-pentadecyl-2-pyrrolin-1-yl)besylic acid Formula: C25H39NO4S MolecularWeight: 449.64646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C25H39NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-20-25(27)26(21-22)23-16-18-24(19-17-23)31(28,29)30/h16-19,21H,2-15,20H2,1H3,(H,28,29,30)