3-ethylhexyl 2-(2,2-dimethylpropyl)-4-(4-hydroxyphenyl)-6,6-dimethyl-heptanoate

Systemtic Name: 3-ethylhexyl 2-(2,2-dimethylpropyl)-4-(4-hydroxyphenyl)-6,6-dimethyl-heptanoate Openeye Name: 3-ethylhexyl 2-(2,2-dimethylpropyl)-4-(4-hydroxyphenyl)-6,6-dimethyl-heptanoate CAS Name: 2-(2,2-dimethylpropyl)-4-(4-hydroxyphenyl)-6,6-dimethylheptanoic acid 3-ethylhexyl ester IUPAC Name: 3-ethylhexyl 2-(2,2-dimethylpropyl)-4-(4-hydroxyphenyl)-6,6-dimethylheptanoate Traditional Name: 4-(4-hydroxyphenyl)-6,6-dimethyl-2-neopentyl-enanthic acid 3-ethylhexyl ester Formula: C28H48O3 MolecularWeight: 432.67892

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)CCOC(=O)C(CC(CC(C)(C)C)C1=CC=C(C=C1)O)CC(C)(C)C

Isomeric SMILES

CCCC(CC)CCOC(=O)C(CC(CC(C)(C)C)C1=CC=C(C=C1)O)CC(C)(C)C

InChI

InChI=1S/C28H48O3/c1-9-11-21(10-2)16-17-31-26(30)24(20-28(6,7)8)18-23(19-27(3,4)5)22-12-14-25(29)15-13-22/h12-15,21,23-24,29H,9-11,16-20H2,1-8H3