methyl (2E)-2-ethylidene-3-methyl-3-oxidanyl-pent-4-ynoate

Systemtic Name: methyl (2E)-2-ethylidene-3-methyl-3-oxidanyl-pent-4-ynoate Openeye Name: methyl (2E)-2-ethylidene-3-hydroxy-3-methyl-pent-4-ynoate CAS Name: (2E)-2-ethylidene-3-hydroxy-3-methyl-4-pentynoic acid methyl ester IUPAC Name: methyl (2E)-2-ethylidene-3-hydroxy-3-methylpent-4-ynoate Traditional Name: (2E)-2-ethylidene-3-hydroxy-3-methyl-pent-4-ynoic acid methyl ester Formula: C9H12O3 MolecularWeight: 168.18978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C(/C(=O)OC)\C(C)(C#C)O

InChI

InChI=1S/C9H12O3/c1-5-7(8(10)12-4)9(3,11)6-2/h2,5,11H,1,3-4H3/b7-5-