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4-ethyl-3-ethynyl-2-phenyl-2-propan-2-yloxy-undecanoic acid

4-ethyl-3-ethynyl-2-phenyl-2-propan-2-yloxy-undecanoic acid

Systemtic Name:4-ethyl-3-ethynyl-2-phenyl-2-propan-2-yloxy-undecanoic acid
Openeye Name:4-ethyl-3-ethynyl-2-isopropoxy-2-phenyl-undecanoic acid
CAS Name:4-ethyl-3-ethynyl-2-phenyl-2-propan-2-yloxyundecanoic acid
IUPAC Name:4-ethyl-3-ethynyl-2-phenyl-2-propan-2-yloxyundecanoic acid
Traditional Name:3-(1-ethyloctyl)-2-isopropoxy-2-phenyl-pent-4-ynoic acid
Formula: C24H36O3
MolecularWeight: 372.54084
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CC)C(C#C)C(C1=CC=CC=C1)(C(=O)O)OC(C)C


Isomeric SMILES

CCCCCCCC(CC)C(C#C)C(C1=CC=CC=C1)(C(=O)O)OC(C)C


InChI

InChI=1S/C24H36O3/c1-6-9-10-11-13-16-20(7-2)22(8-3)24(23(25)26,27-19(4)5)21-17-14-12-15-18-21/h3,12,14-15,17-20,22H,6-7,9-11,13,16H2,1-2,4-5H3,(H,25,26)


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