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2-hexadecyl-3-octadecyl-butanedioic acid

2-hexadecyl-3-octadecyl-butanedioic acid

Systemtic Name:2-hexadecyl-3-octadecyl-butanedioic acid
Openeye Name:2-hexadecyl-3-octadecyl-butanedioic acid
CAS Name:2-hexadecyl-3-octadecylbutanedioic acid
IUPAC Name:2-hexadecyl-3-octadecylbutanedioic acid
Traditional Name:2-cetyl-3-stearyl-succinic acid
Formula: C38H74O4
MolecularWeight: 594.99176
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C38H74O4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36(38(41)42)35(37(39)40)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h35-36H,3-34H2,1-2H3,(H,39,40)(H,41,42)


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