ethyl 4-oxidanyl-4-(2-pent-1-ynylphenyl)but-2-ynoate

Systemtic Name: ethyl 4-oxidanyl-4-(2-pent-1-ynylphenyl)but-2-ynoate Openeye Name: ethyl 4-hydroxy-4-(2-pent-1-ynylphenyl)but-2-ynoate CAS Name: 4-hydroxy-4-(2-pent-1-ynylphenyl)-2-butynoic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-4-(2-pent-1-ynylphenyl)but-2-ynoate Traditional Name: 4-hydroxy-4-(2-pent-1-ynylphenyl)but-2-ynoic acid ethyl ester Formula: C17H18O3 MolecularWeight: 270.32302

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=CC=CC=C1C(C#CC(=O)OCC)O

Isomeric SMILES

CCCC#CC1=CC=CC=C1C(C#CC(=O)OCC)O

InChI

InChI=1S/C17H18O3/c1-3-5-6-9-14-10-7-8-11-15(14)16(18)12-13-17(19)20-4-2/h7-8,10-11,16,18H,3-5H2,1-2H3