6-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)-5-methyl-henicosane-4-sulfinate

Systemtic Name: 6-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)-5-methyl-henicosane-4-sulfinate Openeye Name: 6-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)-5-methyl-henicosane-4-sulfinate CAS Name: 6-(3-tert-butyl-4-hydroxy-5-methylphenyl)-5-methyl-4-heneicosanesulfinate IUPAC Name: 6-(3-tert-butyl-4-hydroxy-5-methylphenyl)-5-methylhenicosane-4-sulfinate Traditional Name: 6-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)-5-methyl-heneicosane-4-sulfinate Formula: C33H59O3S- MolecularWeight: 535.88476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C1=CC(=C(C(=C1)C(C)(C)C)O)C)C(C)C(CCC)S(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(C1=CC(=C(C(=C1)C(C)(C)C)O)C)C(C)C(CCC)S(=O)[O-]

InChI

InChI=1S/C33H60O3S/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-23-29(27(4)31(22-9-2)37(35)36)28-24-26(3)32(34)30(25-28)33(5,6)7/h24-25,27,29,31,34H,8-23H2,1-7H3,(H,35,36)/p-1