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[1-[(E)-but-2-enoxy]-1-oxidanylidene-hexadecan-4-yl] benzoate

[1-[(E)-but-2-enoxy]-1-oxidanylidene-hexadecan-4-yl] benzoate

Systemtic Name:[1-[(E)-but-2-enoxy]-1-oxidanylidene-hexadecan-4-yl] benzoate
Openeye Name:1-[3-[(E)-but-2-enoxy]-3-oxo-propyl]tridecyl benzoate
CAS Name:benzoic acid [1-[(E)-but-2-enoxy]-1-oxohexadecan-4-yl] ester
IUPAC Name:[1-[(E)-but-2-enoxy]-1-oxohexadecan-4-yl] benzoate
Traditional Name:benzoic acid 1-[3-[(E)-but-2-enoxy]-3-keto-propyl]tridecyl ester
Formula: C27H42O4
MolecularWeight: 430.61998
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCC(=O)OCC=CC)OC(=O)C1=CC=CC=C1


Isomeric SMILES

CCCCCCCCCCCCC(CCC(=O)OC/C=C/C)OC(=O)C1=CC=CC=C1


InChI

InChI=1S/C27H42O4/c1-3-5-7-8-9-10-11-12-13-17-20-25(21-22-26(28)30-23-6-4-2)31-27(29)24-18-15-14-16-19-24/h4,6,14-16,18-19,25H,3,5,7-13,17,20-23H2,1-2H3/b6-4+


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