4-[3-(3,5-ditert-butyl-2-methoxy-phenyl)-3-oxidanyl-prop-1-ynyl]benzoic acid

Systemtic Name: 4-[3-(3,5-ditert-butyl-2-methoxy-phenyl)-3-oxidanyl-prop-1-ynyl]benzoic acid Openeye Name: 4-[3-(3,5-ditert-butyl-2-methoxy-phenyl)-3-hydroxy-prop-1-ynyl]benzoic acid CAS Name: 4-[3-(3,5-ditert-butyl-2-methoxyphenyl)-3-hydroxyprop-1-ynyl]benzoic acid IUPAC Name: 4-[3-(3,5-ditert-butyl-2-methoxyphenyl)-3-hydroxyprop-1-ynyl]benzoic acid Traditional Name: 4-[3-(3,5-ditert-butyl-2-methoxy-phenyl)-3-hydroxy-prop-1-ynyl]benzoic acid Formula: C25H30O4 MolecularWeight: 394.5033

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)OC)C(C#CC2=CC=C(C=C2)C(=O)O)O

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)OC)C(C#CC2=CC=C(C=C2)C(=O)O)O

InChI

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