[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl] 2-butylbenzoate

Systemtic Name: [2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl] 2-butylbenzoate Openeye Name: [3-hydroxy-2-(hydroxymethyl)-2-methyl-propyl] 2-butylbenzoate CAS Name: 2-butylbenzoic acid [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] ester IUPAC Name: [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 2-butylbenzoate Traditional Name: 2-butylbenzoic acid (3-hydroxy-2-methyl-2-methylol-propyl) ester Formula: C16H24O4 MolecularWeight: 280.35936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1C(=O)OCC(C)(CO)CO

Isomeric SMILES

CCCCC1=CC=CC=C1C(=O)OCC(C)(CO)CO

InChI

InChI=1S/C16H24O4/c1-3-4-7-13-8-5-6-9-14(13)15(19)20-12-16(2,10-17)11-18/h5-6,8-9,17-18H,3-4,7,10-12H2,1-2H3