hexyl 5-[5-(3-cyclohexyl-3-oxidanyl-prop-1-ynyl)-5-oxidanyl-3a,4,6,6a-tetrahydro-1H-pentalen-2-yl]-5-oxidanylidene-pentanoate

Systemtic Name: hexyl 5-[5-(3-cyclohexyl-3-oxidanyl-prop-1-ynyl)-5-oxidanyl-3a,4,6,6a-tetrahydro-1H-pentalen-2-yl]-5-oxidanylidene-pentanoate Openeye Name: hexyl 5-[5-(3-cyclohexyl-3-hydroxy-prop-1-ynyl)-5-hydroxy-3a,4,6,6a-tetrahydro-1H-pentalen-2-yl]-5-oxo-pentanoate CAS Name: 5-[5-(3-cyclohexyl-3-hydroxyprop-1-ynyl)-5-hydroxy-3a,4,6,6a-tetrahydro-1H-pentalen-2-yl]-5-oxopentanoic acid hexyl ester IUPAC Name: hexyl 5-[5-(3-cyclohexyl-3-hydroxyprop-1-ynyl)-5-hydroxy-3a,4,6,6a-tetrahydro-1H-pentalen-2-yl]-5-oxopentanoate Traditional Name: 5-[5-(3-cyclohexyl-3-hydroxy-prop-1-ynyl)-5-hydroxy-3a,4,6,6a-tetrahydro-1H-pentalen-2-yl]-5-keto-valeric acid hexyl ester Formula: C28H42O5 MolecularWeight: 458.63008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CCCC(=O)C1=CC2CC(CC2C1)(C#CC(C3CCCCC3)O)O

Isomeric SMILES

CCCCCCOC(=O)CCCC(=O)C1=CC2CC(CC2C1)(C#CC(C3CCCCC3)O)O

InChI

InChI=1S/C28H42O5/c1-2-3-4-8-16-33-27(31)13-9-12-25(29)22-17-23-19-28(32,20-24(23)18-22)15-14-26(30)21-10-6-5-7-11-21/h17,21,23-24,26,30,32H,2-13,16,18-20H2,1H3