(2R)-2-azanyl-4-(3-bromanyl-5-methyl-4-pentoxy-phenyl)-2-methyl-butan-1-ol; tris(fluoranyl)methanesulfonic acid

Systemtic Name: (2R)-2-azanyl-4-(3-bromanyl-5-methyl-4-pentoxy-phenyl)-2-methyl-butan-1-ol; tris(fluoranyl)methanesulfonic acid Openeye Name: (2R)-2-amino-4-(3-bromo-5-methyl-4-pentoxy-phenyl)-2-methyl-butan-1-ol; trifluoromethanesulfonic acid CAS Name: (2R)-2-amino-4-(3-bromo-5-methyl-4-pentoxyphenyl)-2-methyl-1-butanol; trifluoromethanesulfonic acid IUPAC Name: (2R)-2-amino-4-(3-bromo-5-methyl-4-pentoxyphenyl)-2-methylbutan-1-ol; trifluoromethanesulfonic acid Traditional Name: (2R)-2-amino-4-(4-amoxy-3-bromo-5-methyl-phenyl)-2-methyl-butan-1-ol; triflic acid Formula: C18H29BrF3NO5S MolecularWeight: 508.39077

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1Br)CCC(C)(CO)N)C.C(F)(F)(F)S(=O)(=O)O

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1Br)CC[C@](C)(CO)N)C.C(F)(F)(F)S(=O)(=O)O

InChI

InChI=1S/C17H28BrNO2.CHF3O3S/c1-4-5-6-9-21-16-13(2)10-14(11-15(16)18)7-8-17(3,19)12-20;2-1(3,4)8(5,6)7/h10-11,20H,4-9,12,19H2,1-3H3;(H,5,6,7)/t17-;/m1./s1