2-azanyl-5-[4-(3-phenylmethoxyphenyl)sulfanyl-2-(trifluoromethyl)phenyl]hexane-1,3-diol

Systemtic Name: 2-azanyl-5-[4-(3-phenylmethoxyphenyl)sulfanyl-2-(trifluoromethyl)phenyl]hexane-1,3-diol Openeye Name: 2-amino-5-[4-(3-benzyloxyphenyl)sulfanyl-2-(trifluoromethyl)phenyl]hexane-1,3-diol CAS Name: 2-amino-5-[4-[(3-phenylmethoxyphenyl)thio]-2-(trifluoromethyl)phenyl]hexane-1,3-diol IUPAC Name: 2-amino-5-[4-(3-phenylmethoxyphenyl)sulfanyl-2-(trifluoromethyl)phenyl]hexane-1,3-diol Traditional Name: 2-amino-5-[4-[(3-benzoxyphenyl)thio]-2-(trifluoromethyl)phenyl]hexane-1,3-diol Formula: C26H28F3NO3S MolecularWeight: 491.56563

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(CO)N)O)C1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CC(CC(C(CO)N)O)C1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C26H28F3NO3S/c1-17(12-25(32)24(30)15-31)22-11-10-21(14-23(22)26(27,28)29)34-20-9-5-8-19(13-20)33-16-18-6-3-2-4-7-18/h2-11,13-14,17,24-25,31-32H,12,15-16,30H2,1H3