methyl 5-(7a-methyl-4-oxidanyl-3,3a,4,5,6,7-hexahydroinden-1-yl)hex-2-ynoate

Systemtic Name: methyl 5-(7a-methyl-4-oxidanyl-3,3a,4,5,6,7-hexahydroinden-1-yl)hex-2-ynoate Openeye Name: methyl 5-(4-hydroxy-7a-methyl-3,3a,4,5,6,7-hexahydroinden-1-yl)hex-2-ynoate CAS Name: 5-(4-hydroxy-7a-methyl-3,3a,4,5,6,7-hexahydroinden-1-yl)-2-hexynoic acid methyl ester IUPAC Name: methyl 5-(4-hydroxy-7a-methyl-3,3a,4,5,6,7-hexahydroinden-1-yl)hex-2-ynoate Traditional Name: 5-(4-hydroxy-7a-methyl-3,3a,4,5,6,7-hexahydroinden-1-yl)hex-2-ynoic acid methyl ester Formula: C17H24O3 MolecularWeight: 276.37066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC#CC(=O)OC)C1=CCC2C1(CCCC2O)C

Isomeric SMILES

CC(CC#CC(=O)OC)C1=CCC2C1(CCCC2O)C

InChI

InChI=1S/C17H24O3/c1-12(6-4-8-16(19)20-3)13-9-10-14-15(18)7-5-11-17(13,14)2/h9,12,14-15,18H,5-7,10-11H2,1-3H3