(phenylmethyl) 6-chloranyl-2,2-bis(2-methylpropyl)hexanoate

Systemtic Name: (phenylmethyl) 6-chloranyl-2,2-bis(2-methylpropyl)hexanoate Openeye Name: benzyl 6-chloro-2,2-diisobutyl-hexanoate CAS Name: 6-chloro-2,2-bis(2-methylpropyl)hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-chloro-2,2-bis(2-methylpropyl)hexanoate Traditional Name: 6-chloro-2,2-diisobutyl-hexanoic acid benzyl ester Formula: C21H33ClO2 MolecularWeight: 352.93852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CCCCCl)(CC(C)C)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)CC(CCCCCl)(CC(C)C)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H33ClO2/c1-17(2)14-21(15-18(3)4,12-8-9-13-22)20(23)24-16-19-10-6-5-7-11-19/h5-7,10-11,17-18H,8-9,12-16H2,1-4H3