ethyl 2,7-bis(oxidanyl)-2-propan-2-yl-hept-3-ynoate

Systemtic Name: ethyl 2,7-bis(oxidanyl)-2-propan-2-yl-hept-3-ynoate Openeye Name: ethyl 2,7-dihydroxy-2-isopropyl-hept-3-ynoate CAS Name: 2,7-dihydroxy-2-propan-2-yl-3-heptynoic acid ethyl ester IUPAC Name: ethyl 2,7-dihydroxy-2-propan-2-ylhept-3-ynoate Traditional Name: 2,7-dihydroxy-2-isopropyl-hept-3-ynoic acid ethyl ester Formula: C12H20O4 MolecularWeight: 228.2848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#CCCCO)(C(C)C)O

Isomeric SMILES

CCOC(=O)C(C#CCCCO)(C(C)C)O

InChI

InChI=1S/C12H20O4/c1-4-16-11(14)12(15,10(2)3)8-6-5-7-9-13/h10,13,15H,4-5,7,9H2,1-3H3