(E)-3-[3-(3,5-ditert-butyl-2-propoxy-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-(3,5-ditert-butyl-2-propoxy-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(3,5-ditert-butyl-2-propoxy-phenyl)-4-hydroxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-(3,5-ditert-butyl-2-propoxyphenyl)-4-hydroxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(3,5-ditert-butyl-2-propoxyphenyl)-4-hydroxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(3,5-ditert-butyl-2-propoxy-phenyl)-4-hydroxy-phenyl]acrylic acid Formula: C26H34O4 MolecularWeight: 410.54576

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1C2=C(C=CC(=C2)C=CC(=O)O)O)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1C2=C(C=CC(=C2)/C=C/C(=O)O)O)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C26H34O4/c1-8-13-30-24-20(15-18(25(2,3)4)16-21(24)26(5,6)7)19-14-17(9-11-22(19)27)10-12-23(28)29/h9-12,14-16,27H,8,13H2,1-7H3,(H,28,29)/b12-10+