2-[(4-tert-butylphenyl)-oxidanyl-methyl]cyclopentan-1-one

Systemtic Name: 2-[(4-tert-butylphenyl)-oxidanyl-methyl]cyclopentan-1-one Openeye Name: 2-[(4-tert-butylphenyl)-hydroxy-methyl]cyclopentanone CAS Name: 2-[(4-tert-butylphenyl)-hydroxymethyl]-1-cyclopentanone IUPAC Name: 2-[(4-tert-butylphenyl)-hydroxymethyl]cyclopentan-1-one Traditional Name: 2-[(4-tert-butylphenyl)-hydroxy-methyl]cyclopentanone Formula: C16H22O2 MolecularWeight: 246.34468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C2CCCC2=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(C2CCCC2=O)O

InChI

InChI=1S/C16H22O2/c1-16(2,3)12-9-7-11(8-10-12)15(18)13-5-4-6-14(13)17/h7-10,13,15,18H,4-6H2,1-3H3