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3-hexadecyl-2-methylidene-henicosanoic acid

3-hexadecyl-2-methylidene-henicosanoic acid

Systemtic Name:3-hexadecyl-2-methylidene-henicosanoic acid
Openeye Name:3-hexadecyl-2-methylene-henicosanoic acid
CAS Name:3-hexadecyl-2-methyleneheneicosanoic acid
IUPAC Name:3-hexadecyl-2-methylidenehenicosanoic acid
Traditional Name:2-(1-cetylnonadecyl)acrylic acid
Formula: C38H74O2
MolecularWeight: 562.99296
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(=C)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(=C)C(=O)O


InChI

InChI=1S/C38H74O2/c1-4-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-37(36(3)38(39)40)34-32-30-28-26-24-22-19-17-15-13-11-9-7-5-2/h37H,3-35H2,1-2H3,(H,39,40)


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