2,6-ditert-butyl-4-[1-(phenethylamino)propyl]phenol; sulfurous acid

Systemtic Name: 2,6-ditert-butyl-4-[1-(phenethylamino)propyl]phenol; sulfurous acid Openeye Name: 2,6-ditert-butyl-4-[1-(phenethylamino)propyl]phenol; sulfurous acid CAS Name: 2,6-ditert-butyl-4-[1-(phenethylamino)propyl]phenol; sulfurous acid IUPAC Name: 2,6-ditert-butyl-4-[1-(phenethylamino)propyl]phenol; sulfurous acid Traditional Name: 2,6-ditert-butyl-4-[1-(phenethylamino)propyl]phenol; sulfurous acid Formula: C25H39NO4S MolecularWeight: 449.64646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)NCCC2=CC=CC=C2.OS(=O)O

Isomeric SMILES

CCC(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)NCCC2=CC=CC=C2.OS(=O)O

InChI

InChI=1S/C25H37NO.H2O3S/c1-8-22(26-15-14-18-12-10-9-11-13-18)19-16-20(24(2,3)4)23(27)21(17-19)25(5,6)7;1-4(2)3/h9-13,16-17,22,26-27H,8,14-15H2,1-7H3;(H2,1,2,3)