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ethyl 3-[(E)-8-acetyloxy-4-ethanoyl-tridec-1-enyl]benzoate

ethyl 3-[(E)-8-acetyloxy-4-ethanoyl-tridec-1-enyl]benzoate

Systemtic Name:ethyl 3-[(E)-8-acetyloxy-4-ethanoyl-tridec-1-enyl]benzoate
Openeye Name:ethyl 3-[(E)-8-acetoxy-4-acetyl-tridec-1-enyl]benzoate
CAS Name:3-[(E)-4-acetyl-8-acetyloxytridec-1-enyl]benzoic acid ethyl ester
IUPAC Name:ethyl 3-[(E)-4-acetyl-8-acetyloxytridec-1-enyl]benzoate
Traditional Name:3-[(E)-8-acetoxy-4-acetyl-tridec-1-enyl]benzoic acid ethyl ester
Formula: C26H38O5
MolecularWeight: 430.57692
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC(CC=CC1=CC(=CC=C1)C(=O)OCC)C(=O)C)OC(=O)C


Isomeric SMILES

CCCCCC(CCCC(C/C=C/C1=CC(=CC=C1)C(=O)OCC)C(=O)C)OC(=O)C


InChI

InChI=1S/C26H38O5/c1-5-7-8-17-25(31-21(4)28)18-11-15-23(20(3)27)14-9-12-22-13-10-16-24(19-22)26(29)30-6-2/h9-10,12-13,16,19,23,25H,5-8,11,14-15,17-18H2,1-4H3/b12-9+


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