[2-(hydroxymethyl)-2-methyl-3-(7-methyloctanoyloxy)propyl] 4-tert-butylbenzoate

Systemtic Name: [2-(hydroxymethyl)-2-methyl-3-(7-methyloctanoyloxy)propyl] 4-tert-butylbenzoate Openeye Name: [2-(hydroxymethyl)-2-methyl-3-(7-methyloctanoyloxy)propyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-(hydroxymethyl)-2-methyl-3-(7-methyl-1-oxooctoxy)propyl] ester IUPAC Name: [2-(hydroxymethyl)-2-methyl-3-(7-methyloctanoyloxy)propyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [3-hydroxy-2-methyl-2-(7-methyloctanoyloxymethyl)propyl] ester Formula: C25H40O5 MolecularWeight: 420.5821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40O5/c1-19(2)10-8-7-9-11-22(27)29-17-25(6,16-26)18-30-23(28)20-12-14-21(15-13-20)24(3,4)5/h12-15,19,26H,7-11,16-18H2,1-6H3