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4-[2-[4-(3,7-dimethyloctoxy)phenyl]ethynyl]benzoic acid

4-[2-[4-(3,7-dimethyloctoxy)phenyl]ethynyl]benzoic acid

Systemtic Name:4-[2-[4-(3,7-dimethyloctoxy)phenyl]ethynyl]benzoic acid
Openeye Name:4-[2-[4-(3,7-dimethyloctoxy)phenyl]ethynyl]benzoic acid
CAS Name:4-[2-[4-(3,7-dimethyloctoxy)phenyl]ethynyl]benzoic acid
IUPAC Name:4-[2-[4-(3,7-dimethyloctoxy)phenyl]ethynyl]benzoic acid
Traditional Name:4-[2-[4-(3,7-dimethyloctoxy)phenyl]ethynyl]benzoic acid
Formula: C25H30O3
MolecularWeight: 378.5039
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)O


Isomeric SMILES

CC(C)CCCC(C)CCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)O


InChI

InChI=1S/C25H30O3/c1-19(2)5-4-6-20(3)17-18-28-24-15-11-22(12-16-24)8-7-21-9-13-23(14-10-21)25(26)27/h9-16,19-20H,4-6,17-18H2,1-3H3,(H,26,27)


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