19-(3,5-ditert-butyl-4-oxidanyl-phenyl)heptatriacontane-19-sulfonate

Systemtic Name: 19-(3,5-ditert-butyl-4-oxidanyl-phenyl)heptatriacontane-19-sulfonate Openeye Name: 19-(3,5-ditert-butyl-4-hydroxy-phenyl)heptatriacontane-19-sulfonate CAS Name: 19-(3,5-ditert-butyl-4-hydroxyphenyl)-19-heptatriacontanesulfonate IUPAC Name: 19-(3,5-ditert-butyl-4-hydroxyphenyl)heptatriacontane-19-sulfonate Traditional Name: 19-(3,5-ditert-butyl-4-hydroxy-phenyl)heptatriacontane-19-sulfonate Formula: C51H95O4S- MolecularWeight: 804.3626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)S(=O)(=O)[O-]

InChI

InChI=1S/C51H96O4S/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-51(56(53,54)55,45-43-46(49(3,4)5)48(52)47(44-45)50(6,7)8)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-2/h43-44,52H,9-42H2,1-8H3,(H,53,54,55)/p-1