3-(4-tert-butylphenyl)-3-oxidanyl-2-propan-2-yloxy-2-(2-prop-1-ynylphenyl)propanoic acid

Systemtic Name: 3-(4-tert-butylphenyl)-3-oxidanyl-2-propan-2-yloxy-2-(2-prop-1-ynylphenyl)propanoic acid Openeye Name: 3-(4-tert-butylphenyl)-3-hydroxy-2-isopropoxy-2-(2-prop-1-ynylphenyl)propanoic acid CAS Name: 3-(4-tert-butylphenyl)-3-hydroxy-2-propan-2-yloxy-2-(2-prop-1-ynylphenyl)propanoic acid IUPAC Name: 3-(4-tert-butylphenyl)-3-hydroxy-2-propan-2-yloxy-2-(2-prop-1-ynylphenyl)propanoic acid Traditional Name: 3-(4-tert-butylphenyl)-3-hydroxy-2-isopropoxy-2-(2-prop-1-ynylphenyl)propionic acid Formula: C25H30O4 MolecularWeight: 394.5033

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC=CC=C1C(C(C2=CC=C(C=C2)C(C)(C)C)O)(C(=O)O)OC(C)C

Isomeric SMILES

CC#CC1=CC=CC=C1C(C(C2=CC=C(C=C2)C(C)(C)C)O)(C(=O)O)OC(C)C

InChI

InChI=1S/C25H30O4/c1-7-10-18-11-8-9-12-21(18)25(23(27)28,29-17(2)3)22(26)19-13-15-20(16-14-19)24(4,5)6/h8-9,11-17,22,26H,1-6H3,(H,27,28)