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1,3-dioctoxypropan-2-yl 4-(2,2-dimethylpropanoyl)benzoate

1,3-dioctoxypropan-2-yl 4-(2,2-dimethylpropanoyl)benzoate

Systemtic Name:1,3-dioctoxypropan-2-yl 4-(2,2-dimethylpropanoyl)benzoate
Openeye Name:[2-octoxy-1-(octoxymethyl)ethyl] 4-(2,2-dimethylpropanoyl)benzoate
CAS Name:4-(2,2-dimethyl-1-oxopropyl)benzoic acid 1,3-dioctoxypropan-2-yl ester
IUPAC Name:1,3-dioctoxypropan-2-yl 4-(2,2-dimethylpropanoyl)benzoate
Traditional Name:4-pivaloylbenzoic acid [2-octoxy-1-(octoxymethyl)ethyl] ester
Formula: C31H52O5
MolecularWeight: 504.74158
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCC(COCCCCCCCC)OC(=O)C1=CC=C(C=C1)C(=O)C(C)(C)C


Isomeric SMILES

CCCCCCCCOCC(COCCCCCCCC)OC(=O)C1=CC=C(C=C1)C(=O)C(C)(C)C


InChI

InChI=1S/C31H52O5/c1-6-8-10-12-14-16-22-34-24-28(25-35-23-17-15-13-11-9-7-2)36-30(33)27-20-18-26(19-21-27)29(32)31(3,4)5/h18-21,28H,6-17,22-25H2,1-5H3


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