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

Systemtic Name: 2,6-ditert-butyl-4-(2,6-ditert-butyl-4-sulfanylcarbonyl-phenoxy)carbonyl-phenolate Openeye Name: 2,6-ditert-butyl-4-(2,6-ditert-butyl-4-sulfanylcarbonyl-phenoxy)carbonyl-phenolate CAS Name: 2,6-ditert-butyl-4-[[2,6-ditert-butyl-4-[mercapto(oxo)methyl]phenoxy]-oxomethyl]phenolate IUPAC Name: 2,6-ditert-butyl-4-(2,6-ditert-butyl-4-sulfanylcarbonylphenoxy)carbonylphenolate Traditional Name: 2,6-ditert-butyl-4-(2,6-ditert-butyl-4-thiocarboxy-phenoxy)carbonyl-phenolate Formula: C30H41O4S- MolecularWeight: 497.70914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1[O-])C(C)(C)C)C(=O)OC2=C(C=C(C=C2C(C)(C)C)C(=O)S)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1[O-])C(C)(C)C)C(=O)OC2=C(C=C(C=C2C(C)(C)C)C(=O)S)C(C)(C)C

InChI

InChI=1S/C30H42O4S/c1-27(2,3)19-13-17(14-20(23(19)31)28(4,5)6)25(32)34-24-21(29(7,8)9)15-18(26(33)35)16-22(24)30(10,11)12/h13-16,31H,1-12H3,(H,33,35)/p-1