3-tert-butylbicyclo[2.2.0]hexa-1,3,5-triene; methyl pentanoate

Systemtic Name: 3-tert-butylbicyclo[2.2.0]hexa-1,3,5-triene; methyl pentanoate Openeye Name: 3-tert-butylbicyclo[2.2.0]hexa-1,3,5-triene; methyl pentanoate CAS Name: 3-tert-butylbicyclo[2.2.0]hexa-1,3,5-triene; pentanoic acid methyl ester IUPAC Name: 3-tert-butylbicyclo[2.2.0]hexa-1,3,5-triene; methyl pentanoate Traditional Name: 3-tert-butylbicyclo[2.2.0]hexa-1,3,5-triene; valeric acid methyl ester Formula: C16H24O2 MolecularWeight: 248.36056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC.CC(C)(C)C1=C2C=CC2=C1

Isomeric SMILES

CCCCC(=O)OC.CC(C)(C)C1=C2C=CC2=C1

InChI

InChI=1S/C10H12.C6H12O2/c1-10(2,3)9-6-7-4-5-8(7)9;1-3-4-5-6(7)8-2/h4-6H,1-3H3;3-5H2,1-2H3