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triacontyl (E)-hexadec-7-enoate

triacontyl (E)-hexadec-7-enoate

Systemtic Name:triacontyl (E)-hexadec-7-enoate
Openeye Name:triacontyl (E)-hexadec-7-enoate
CAS Name:(E)-7-hexadecenoic acid triacontyl ester
IUPAC Name:triacontyl (E)-hexadec-7-enoate
Traditional Name:(E)-hexadec-7-enoic acid melissyl ester
Formula: C46H90O2
MolecularWeight: 675.2056
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCC=CCCCCCCCC


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCC/C=C/CCCCCCCC


InChI

InChI=1S/C46H90O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-48-46(47)44-42-40-38-36-34-32-16-14-12-10-8-6-4-2/h32,34H,3-31,33,35-45H2,1-2H3/b34-32+


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