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2-[(1R)-1-cyclohexyl-5-phenyl-pent-2-ynyl]propanedioic acid

2-[(1R)-1-cyclohexyl-5-phenyl-pent-2-ynyl]propanedioic acid

Systemtic Name:2-[(1R)-1-cyclohexyl-5-phenyl-pent-2-ynyl]propanedioic acid
Openeye Name:2-[(1R)-1-cyclohexyl-5-phenyl-pent-2-ynyl]propanedioic acid
CAS Name:2-[(1R)-1-cyclohexyl-5-phenylpent-2-ynyl]propanedioic acid
IUPAC Name:2-[(1R)-1-cyclohexyl-5-phenylpent-2-ynyl]propanedioic acid
Traditional Name:2-[(1R)-1-cyclohexyl-5-phenyl-pent-2-ynyl]malonic acid
Formula: C20H24O4
MolecularWeight: 328.40216
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C#CCCC2=CC=CC=C2)C(C(=O)O)C(=O)O


Isomeric SMILES

C1CCC(CC1)[C@@H](C#CCCC2=CC=CC=C2)C(C(=O)O)C(=O)O


InChI

InChI=1S/C20H24O4/c21-19(22)18(20(23)24)17(16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1,3-4,9-10,16-18H,2,5-7,11-13H2,(H,21,22)(H,23,24)/t17-/m1/s1


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