2-[5-[(3,5-ditert-butyl-4-oxidanyl-phenyl)-oxidanyl-phenyl-methyl]thiophen-2-yl]propanoic acid

Systemtic Name: 2-[5-[(3,5-ditert-butyl-4-oxidanyl-phenyl)-oxidanyl-phenyl-methyl]thiophen-2-yl]propanoic acid Openeye Name: 2-[5-[(3,5-ditert-butyl-4-hydroxy-phenyl)-hydroxy-phenyl-methyl]-2-thienyl]propanoic acid CAS Name: 2-[5-[(3,5-ditert-butyl-4-hydroxyphenyl)-hydroxy-phenylmethyl]-2-thiophenyl]propanoic acid IUPAC Name: 2-[5-[(3,5-ditert-butyl-4-hydroxyphenyl)-hydroxy-phenylmethyl]thiophen-2-yl]propanoic acid Traditional Name: 2-[5-[(3,5-ditert-butyl-4-hydroxy-phenyl)-hydroxy-phenyl-methyl]-2-thienyl]propionic acid Formula: C28H34O4S MolecularWeight: 466.63216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(S1)C(C2=CC=CC=C2)(C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)O)C(=O)O

Isomeric SMILES

CC(C1=CC=C(S1)C(C2=CC=CC=C2)(C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)O)C(=O)O

InChI

InChI=1S/C28H34O4S/c1-17(25(30)31)22-13-14-23(33-22)28(32,18-11-9-8-10-12-18)19-15-20(26(2,3)4)24(29)21(16-19)27(5,6)7/h8-17,29,32H,1-7H3,(H,30,31)