methyl 5-(3-oxidanyl-1-oxidanylidene-3a,4,7,7a-tetrahydroinden-5-yl)pentanoate

Systemtic Name: methyl 5-(3-oxidanyl-1-oxidanylidene-3a,4,7,7a-tetrahydroinden-5-yl)pentanoate Openeye Name: methyl 5-(3-hydroxy-1-oxo-3a,4,7,7a-tetrahydroinden-5-yl)pentanoate CAS Name: 5-(3-hydroxy-1-oxo-3a,4,7,7a-tetrahydroinden-5-yl)pentanoic acid methyl ester IUPAC Name: methyl 5-(3-hydroxy-1-oxo-3a,4,7,7a-tetrahydroinden-5-yl)pentanoate Traditional Name: 5-(3-hydroxy-1-keto-3a,4,7,7a-tetrahydroinden-5-yl)valeric acid methyl ester Formula: C15H20O4 MolecularWeight: 264.3169

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC1=CCC2C(C1)C(=CC2=O)O

Isomeric SMILES

COC(=O)CCCCC1=CCC2C(C1)C(=CC2=O)O

InChI

InChI=1S/C15H20O4/c1-19-15(18)5-3-2-4-10-6-7-11-12(8-10)14(17)9-13(11)16/h6,9,11-12,17H,2-5,7-8H2,1H3