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

Systemtic Name: 4-[3-(3,5-ditert-butyl-2-methoxy-phenyl)-3-methoxy-prop-1-ynyl]benzoic acid Openeye Name: 4-[3-(3,5-ditert-butyl-2-methoxy-phenyl)-3-methoxy-prop-1-ynyl]benzoic acid CAS Name: 4-[3-(3,5-ditert-butyl-2-methoxyphenyl)-3-methoxyprop-1-ynyl]benzoic acid IUPAC Name: 4-[3-(3,5-ditert-butyl-2-methoxyphenyl)-3-methoxyprop-1-ynyl]benzoic acid Traditional Name: 4-[3-(3,5-ditert-butyl-2-methoxy-phenyl)-3-methoxy-prop-1-ynyl]benzoic acid Formula: C26H32O4 MolecularWeight: 408.52988

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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)OC

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)OC

InChI

InChI=1S/C26H32O4/c1-25(2,3)19-15-20(23(30-8)21(16-19)26(4,5)6)22(29-7)14-11-17-9-12-18(13-10-17)24(27)28/h9-10,12-13,15-16,22H,1-8H3,(H,27,28)