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

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

Systemtic Name:4-[3-(3,5-ditert-butyl-2-methoxy-phenyl)prop-1-ynyl]benzoic acid
Openeye Name:4-[3-(3,5-ditert-butyl-2-methoxy-phenyl)prop-1-ynyl]benzoic acid
CAS Name:4-[3-(3,5-ditert-butyl-2-methoxyphenyl)prop-1-ynyl]benzoic acid
IUPAC Name:4-[3-(3,5-ditert-butyl-2-methoxyphenyl)prop-1-ynyl]benzoic acid
Traditional Name:4-[3-(3,5-ditert-butyl-2-methoxy-phenyl)prop-1-ynyl]benzoic acid
Formula: C25H30O3
MolecularWeight: 378.5039
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C25H30O3/c1-24(2,3)20-15-19(22(28-7)21(16-20)25(4,5)6)10-8-9-17-11-13-18(14-12-17)23(26)27/h11-16H,10H2,1-7H3,(H,26,27)


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