[2-(hydroxymethyl)-5-methyl-2-propan-2-yl-hexyl] benzoate

Systemtic Name: [2-(hydroxymethyl)-5-methyl-2-propan-2-yl-hexyl] benzoate Openeye Name: [2-(hydroxymethyl)-2-isopropyl-5-methyl-hexyl] benzoate CAS Name: benzoic acid [2-(hydroxymethyl)-5-methyl-2-propan-2-ylhexyl] ester IUPAC Name: [2-(hydroxymethyl)-5-methyl-2-propan-2-ylhexyl] benzoate Traditional Name: benzoic acid (2-isopropyl-5-methyl-2-methylol-hexyl) ester Formula: C18H28O3 MolecularWeight: 292.41312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CO)(COC(=O)C1=CC=CC=C1)C(C)C

Isomeric SMILES

CC(C)CCC(CO)(COC(=O)C1=CC=CC=C1)C(C)C

InChI

InChI=1S/C18H28O3/c1-14(2)10-11-18(12-19,15(3)4)13-21-17(20)16-8-6-5-7-9-16/h5-9,14-15,19H,10-13H2,1-4H3