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ethyl 2-(2-octadecoxyphenyl)carbonyl-3-oxidanylidene-butanoate

ethyl 2-(2-octadecoxyphenyl)carbonyl-3-oxidanylidene-butanoate

Systemtic Name:ethyl 2-(2-octadecoxyphenyl)carbonyl-3-oxidanylidene-butanoate
Openeye Name:ethyl 2-(2-octadecoxybenzoyl)-3-oxo-butanoate
CAS Name:2-[(2-octadecoxyphenyl)-oxomethyl]-3-oxobutanoic acid ethyl ester
IUPAC Name:ethyl 2-(2-octadecoxybenzoyl)-3-oxobutanoate
Traditional Name:3-keto-2-(2-stearyloxybenzoyl)butyric acid ethyl ester
Formula: C31H50O5
MolecularWeight: 502.7257
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)C(C(=O)C)C(=O)OCC


Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)C(C(=O)C)C(=O)OCC


InChI

InChI=1S/C31H50O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-36-28-24-21-20-23-27(28)30(33)29(26(3)32)31(34)35-5-2/h20-21,23-24,29H,4-19,22,25H2,1-3H3


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