3-[2,5-ditert-butyl-4-[(4-methylphenyl)sulfanylmethyl]-5H-1,3-oxazol-4-yl]phenol; hexan-1-amine

Systemtic Name: 3-[2,5-ditert-butyl-4-[(4-methylphenyl)sulfanylmethyl]-5H-1,3-oxazol-4-yl]phenol; hexan-1-amine Openeye Name: 3-[2,5-ditert-butyl-4-(p-tolylsulfanylmethyl)-5H-oxazol-4-yl]phenol; hexan-1-amine CAS Name: 3-[2,5-ditert-butyl-4-[[(4-methylphenyl)thio]methyl]-5H-oxazol-4-yl]phenol; 1-hexanamine IUPAC Name: 3-[2,5-ditert-butyl-4-[(4-methylphenyl)sulfanylmethyl]-5H-1,3-oxazol-4-yl]phenol; hexan-1-amine Traditional Name: 3-[2,5-ditert-butyl-4-[(p-tolylthio)methyl]-2-oxazolin-4-yl]phenol; hexylamine Formula: C31H48N2O2S MolecularWeight: 512.79002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN.CC1=CC=C(C=C1)SCC2(C(OC(=N2)C(C)(C)C)C(C)(C)C)C3=CC(=CC=C3)O

Isomeric SMILES

CCCCCCN.CC1=CC=C(C=C1)SCC2(C(OC(=N2)C(C)(C)C)C(C)(C)C)C3=CC(=CC=C3)O

InChI

InChI=1S/C25H33NO2S.C6H15N/c1-17-11-13-20(14-12-17)29-16-25(18-9-8-10-19(27)15-18)21(23(2,3)4)28-22(26-25)24(5,6)7;1-2-3-4-5-6-7/h8-15,21,27H,16H2,1-7H3;2-7H2,1H3