2,6-ditert-butyl-4-(2,6-ditert-butyl-3-octyl-4-sulfanylcarbonyl-phenoxy)carbonyl-phenolate

Systemtic Name: 2,6-ditert-butyl-4-(2,6-ditert-butyl-3-octyl-4-sulfanylcarbonyl-phenoxy)carbonyl-phenolate Openeye Name: 2,6-ditert-butyl-4-(2,6-ditert-butyl-3-octyl-4-sulfanylcarbonyl-phenoxy)carbonyl-phenolate CAS Name: 2,6-ditert-butyl-4-[[2,6-ditert-butyl-4-[mercapto(oxo)methyl]-3-octylphenoxy]-oxomethyl]phenolate IUPAC Name: 2,6-ditert-butyl-4-(2,6-ditert-butyl-3-octyl-4-sulfanylcarbonylphenoxy)carbonylphenolate Traditional Name: 2,6-ditert-butyl-4-(2,6-ditert-butyl-3-octyl-4-thiocarboxy-phenoxy)carbonyl-phenolate Formula: C38H57O4S- MolecularWeight: 609.92178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1C(=O)S)C(C)(C)C)OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)[O-])C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1C(=O)S)C(C)(C)C)OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)[O-])C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C38H58O4S/c1-14-15-16-17-18-19-20-25-26(34(41)43)23-29(37(8,9)10)32(30(25)38(11,12)13)42-33(40)24-21-27(35(2,3)4)31(39)28(22-24)36(5,6)7/h21-23,39H,14-20H2,1-13H3,(H,41,43)/p-1