7-oxabicyclo[4.1.0]heptan-4-ylmethyl 2,2-dimethyl-4-phenyl-hexanoate

Systemtic Name: 7-oxabicyclo[4.1.0]heptan-4-ylmethyl 2,2-dimethyl-4-phenyl-hexanoate Openeye Name: 7-oxabicyclo[4.1.0]heptan-4-ylmethyl 2,2-dimethyl-4-phenyl-hexanoate CAS Name: 2,2-dimethyl-4-phenylhexanoic acid 7-oxabicyclo[4.1.0]heptan-4-ylmethyl ester IUPAC Name: 7-oxabicyclo[4.1.0]heptan-4-ylmethyl 2,2-dimethyl-4-phenylhexanoate Traditional Name: 2,2-dimethyl-4-phenyl-hexanoic acid 7-oxabicyclo[4.1.0]heptan-4-ylmethyl ester Formula: C21H30O3 MolecularWeight: 330.4611

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)(C)C(=O)OCC1CCC2C(C1)O2)C3=CC=CC=C3

Isomeric SMILES

CCC(CC(C)(C)C(=O)OCC1CCC2C(C1)O2)C3=CC=CC=C3

InChI

InChI=1S/C21H30O3/c1-4-16(17-8-6-5-7-9-17)13-21(2,3)20(22)23-14-15-10-11-18-19(12-15)24-18/h5-9,15-16,18-19H,4,10-14H2,1-3H3