3,4-di(propan-2-yl)bicyclo[3.1.1]hepta-1(7),2,4-trien-6-one; methyl 3-oxidanylpropanoate

Systemtic Name: 3,4-di(propan-2-yl)bicyclo[3.1.1]hepta-1(7),2,4-trien-6-one; methyl 3-oxidanylpropanoate Openeye Name: 3,4-diisopropylbicyclo[3.1.1]hepta-1(7),2,4-trien-6-one; methyl 3-hydroxypropanoate CAS Name: 3,4-di(propan-2-yl)-6-bicyclo[3.1.1]hepta-1(7),2,4-trienone; 3-hydroxypropanoic acid methyl ester IUPAC Name: 3,4-di(propan-2-yl)bicyclo[3.1.1]hepta-1(7),2,4-trien-6-one; methyl 3-hydroxypropanoate Traditional Name: 3,4-diisopropylbicyclo[3.1.1]hepta-1(7),2,4-trien-6-one; 3-hydroxypropionic acid methyl ester Formula: C17H24O4 MolecularWeight: 292.37006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=CC(=C1C(C)C)C2=O.COC(=O)CCO

Isomeric SMILES

CC(C)C1=CC2=CC(=C1C(C)C)C2=O.COC(=O)CCO

InChI

InChI=1S/C13H16O.C4H8O3/c1-7(2)10-5-9-6-11(13(9)14)12(10)8(3)4;1-7-4(6)2-3-5/h5-8H,1-4H3;5H,2-3H2,1H3