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2,4-bis(3,5,5-trimethylhexoxycarbonyl)benzoic acid

2,4-bis(3,5,5-trimethylhexoxycarbonyl)benzoic acid

Systemtic Name:2,4-bis(3,5,5-trimethylhexoxycarbonyl)benzoic acid
Openeye Name:2,4-bis(3,5,5-trimethylhexoxycarbonyl)benzoic acid
CAS Name:2,4-bis[oxo(3,5,5-trimethylhexoxy)methyl]benzoic acid
IUPAC Name:2,4-bis(3,5,5-trimethylhexoxycarbonyl)benzoic acid
Traditional Name:2,4-bis(3,5,5-trimethylhexoxycarbonyl)benzoic acid
Formula: C27H42O6
MolecularWeight: 462.61878
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C27H42O6/c1-18(16-26(3,4)5)11-13-32-24(30)20-9-10-21(23(28)29)22(15-20)25(31)33-14-12-19(2)17-27(6,7)8/h9-10,15,18-19H,11-14,16-17H2,1-8H3,(H,28,29)


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