[2-(hydroxymethyl)-2-methyl-3-nonanoyloxy-propyl] 4-tert-butylbenzoate

Systemtic Name: [2-(hydroxymethyl)-2-methyl-3-nonanoyloxy-propyl] 4-tert-butylbenzoate Openeye Name: [2-(hydroxymethyl)-2-methyl-3-nonanoyloxy-propyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-(hydroxymethyl)-2-methyl-3-(1-oxononoxy)propyl] ester IUPAC Name: [2-(hydroxymethyl)-2-methyl-3-nonanoyloxypropyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (2-methyl-2-methylol-3-pelargonyloxy-propyl) ester Formula: C25H40O5 MolecularWeight: 420.5821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OCC(C)(CO)COC(=O)C1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

CCCCCCCCC(=O)OCC(C)(CO)COC(=O)C1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C25H40O5/c1-6-7-8-9-10-11-12-22(27)29-18-25(5,17-26)19-30-23(28)20-13-15-21(16-14-20)24(2,3)4/h13-16,26H,6-12,17-19H2,1-5H3