2-[4-[5-[[3,4-bis(hydroxymethyl)-2-methyl-phenyl]amino]-2-methyl-phenyl]-3-propyl-phenyl]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-ol

Systemtic Name: 2-[4-[5-[[3,4-bis(hydroxymethyl)-2-methyl-phenyl]amino]-2-methyl-phenyl]-3-propyl-phenyl]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-ol Openeye Name: 2-[4-[5-[3,4-bis(hydroxymethyl)-2-methyl-anilino]-2-methyl-phenyl]-3-propyl-phenyl]-1,1,1,3,3,3-hexafluoro-propan-2-ol CAS Name: 2-[4-[5-[3,4-bis(hydroxymethyl)-2-methylanilino]-2-methylphenyl]-3-propylphenyl]-1,1,1,3,3,3-hexafluoro-2-propanol IUPAC Name: 2-[4-[5-[3,4-bis(hydroxymethyl)-2-methylanilino]-2-methylphenyl]-3-propylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol Traditional Name: 1,1,1,3,3,3-hexafluoro-2-[4-[2-methyl-5-(2-methyl-3,4-dimethylol-anilino)phenyl]-3-propyl-phenyl]propan-2-ol Formula: C28H29F6NO3 MolecularWeight: 541.525179

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)O)C2=C(C=CC(=C2)NC3=C(C(=C(C=C3)CO)CO)C)C

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)O)C2=C(C=CC(=C2)NC3=C(C(=C(C=C3)CO)CO)C)C

InChI

InChI=1S/C28H29F6NO3/c1-4-5-18-12-20(26(38,27(29,30)31)28(32,33)34)8-10-22(18)23-13-21(9-6-16(23)2)35-25-11-7-19(14-36)24(15-37)17(25)3/h6-13,35-38H,4-5,14-15H2,1-3H3