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2-decanoyloxy-3,5-bis(2,4,4-trimethylpentan-2-yl)benzoic acid

2-decanoyloxy-3,5-bis(2,4,4-trimethylpentan-2-yl)benzoic acid

Systemtic Name:2-decanoyloxy-3,5-bis(2,4,4-trimethylpentan-2-yl)benzoic acid
Openeye Name:2-decanoyloxy-3,5-bis(1,1,3,3-tetramethylbutyl)benzoic acid
CAS Name:2-(1-oxodecoxy)-3,5-bis(2,4,4-trimethylpentan-2-yl)benzoic acid
IUPAC Name:2-decanoyloxy-3,5-bis(2,4,4-trimethylpentan-2-yl)benzoic acid
Traditional Name:2-capryloxy-3,5-bis(1,1,3,3-tetramethylbutyl)benzoic acid
Formula: C33H56O4
MolecularWeight: 516.79534
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC1=C(C=C(C=C1C(=O)O)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C


Isomeric SMILES

CCCCCCCCCC(=O)OC1=C(C=C(C=C1C(=O)O)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C


InChI

InChI=1S/C33H56O4/c1-12-13-14-15-16-17-18-19-27(34)37-28-25(29(35)36)20-24(32(8,9)22-30(2,3)4)21-26(28)33(10,11)23-31(5,6)7/h20-21H,12-19,22-23H2,1-11H3,(H,35,36)


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