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phenacyl (E)-3-oxidanyl-2-tetradecyl-icos-11-enoate

phenacyl (E)-3-oxidanyl-2-tetradecyl-icos-11-enoate

Systemtic Name:phenacyl (E)-3-oxidanyl-2-tetradecyl-icos-11-enoate
Openeye Name:phenacyl (E)-3-hydroxy-2-tetradecyl-icos-11-enoate
CAS Name:(E)-3-hydroxy-2-tetradecyl-11-eicosenoic acid phenacyl ester
IUPAC Name:phenacyl (E)-3-hydroxy-2-tetradecylicos-11-enoate
Traditional Name:(E)-3-hydroxy-2-myristyl-eicos-11-enoic acid phenacyl ester
Formula: C42H72O4
MolecularWeight: 641.01868
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(CCCCCCCC=CCCCCCCCC)O)C(=O)OCC(=O)C1=CC=CC=C1


Isomeric SMILES

CCCCCCCCCCCCCCC(C(CCCCCCC/C=C/CCCCCCCC)O)C(=O)OCC(=O)C1=CC=CC=C1


InChI

InChI=1S/C42H72O4/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-32-36-40(43)39(42(45)46-37-41(44)38-33-29-28-30-34-38)35-31-26-24-22-20-16-14-12-10-8-6-4-2/h17-18,28-30,33-34,39-40,43H,3-16,19-27,31-32,35-37H2,1-2H3/b18-17+


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