(4-methyl-2-oxidanylidene-6-undecyl-pyridin-1-yl) 4-propan-2-ylbenzenesulfonate

Systemtic Name: (4-methyl-2-oxidanylidene-6-undecyl-pyridin-1-yl) 4-propan-2-ylbenzenesulfonate Openeye Name: (4-methyl-2-oxo-6-undecyl-1-pyridyl) 4-isopropylbenzenesulfonate CAS Name: 4-propan-2-ylbenzenesulfonic acid (4-methyl-2-oxo-6-undecyl-1-pyridinyl) ester IUPAC Name: (4-methyl-2-oxo-6-undecylpyridin-1-yl) 4-propan-2-ylbenzenesulfonate Traditional Name: 4-isopropylbenzenesulfonic acid (2-keto-4-methyl-6-undecyl-1-pyridyl) ester Formula: C26H39NO4S MolecularWeight: 461.65716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CC(=CC(=O)N1OS(=O)(=O)C2=CC=C(C=C2)C(C)C)C

Isomeric SMILES

CCCCCCCCCCCC1=CC(=CC(=O)N1OS(=O)(=O)C2=CC=C(C=C2)C(C)C)C

InChI

InChI=1S/C26H39NO4S/c1-5-6-7-8-9-10-11-12-13-14-24-19-22(4)20-26(28)27(24)31-32(29,30)25-17-15-23(16-18-25)21(2)3/h15-21H,5-14H2,1-4H3