2-tert-butyl-6-methyl-4-[octadecyl(sulfanylcarbonyl)amino]phenolate

Systemtic Name: 2-tert-butyl-6-methyl-4-[octadecyl(sulfanylcarbonyl)amino]phenolate Openeye Name: 2-tert-butyl-6-methyl-4-[octadecyl(sulfanylcarbonyl)amino]phenolate CAS Name: 2-tert-butyl-4-[[mercapto(oxo)methyl]-octadecylamino]-6-methylphenolate IUPAC Name: 2-tert-butyl-6-methyl-4-[octadecyl(sulfanylcarbonyl)amino]phenolate Traditional Name: 2-tert-butyl-6-methyl-4-[stearyl(thiocarboxy)amino]phenolate Formula: C30H52NO2S- MolecularWeight: 490.80438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C1=CC(=C(C(=C1)C)[O-])C(C)(C)C)C(=O)S

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C1=CC(=C(C(=C1)C)[O-])C(C)(C)C)C(=O)S

InChI

InChI=1S/C30H53NO2S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-31(29(33)34)26-23-25(2)28(32)27(24-26)30(3,4)5/h23-24,32H,6-22H2,1-5H3,(H,33,34)/p-1