ethyl (E)-5-(4-tert-butyl-1-oxidanyl-cyclohexyl)-3-methyl-pent-2-en-4-ynoate

Systemtic Name: ethyl (E)-5-(4-tert-butyl-1-oxidanyl-cyclohexyl)-3-methyl-pent-2-en-4-ynoate Openeye Name: ethyl (E)-5-(4-tert-butyl-1-hydroxy-cyclohexyl)-3-methyl-pent-2-en-4-ynoate CAS Name: (E)-5-(4-tert-butyl-1-hydroxycyclohexyl)-3-methylpent-2-en-4-ynoic acid ethyl ester IUPAC Name: ethyl (E)-5-(4-tert-butyl-1-hydroxycyclohexyl)-3-methylpent-2-en-4-ynoate Traditional Name: (E)-5-(4-tert-butyl-1-hydroxy-cyclohexyl)-3-methyl-pent-2-en-4-ynoic acid ethyl ester Formula: C18H28O3 MolecularWeight: 292.41312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)C#CC1(CCC(CC1)C(C)(C)C)O

Isomeric SMILES

CCOC(=O)/C=C(\C)/C#CC1(CCC(CC1)C(C)(C)C)O

InChI

InChI=1S/C18H28O3/c1-6-21-16(19)13-14(2)7-10-18(20)11-8-15(9-12-18)17(3,4)5/h13,15,20H,6,8-9,11-12H2,1-5H3/b14-13+