2,6-ditert-butyl-3-[1-(phenethylamino)propyl]phenol sulfite

Systemtic Name: 2,6-ditert-butyl-3-[1-(phenethylamino)propyl]phenol sulfite Openeye Name: 2,6-ditert-butyl-3-[1-(phenethylamino)propyl]phenol sulfite CAS Name: 2,6-ditert-butyl-3-[1-(phenethylamino)propyl]phenol sulfite IUPAC Name: 2,6-ditert-butyl-3-[1-(phenethylamino)propyl]phenol sulfite Traditional Name: 2,6-ditert-butyl-3-[1-(phenethylamino)propyl]phenol sulfite Formula: C25H37NO4S-2 MolecularWeight: 447.63058

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=C(C=C1)C(C)(C)C)O)C(C)(C)C)NCCC2=CC=CC=C2.[O-]S(=O)[O-]

Isomeric SMILES

CCC(C1=C(C(=C(C=C1)C(C)(C)C)O)C(C)(C)C)NCCC2=CC=CC=C2.[O-]S(=O)[O-]

InChI

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