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2-(12-methylhexadecan-5-yl)propanedioic acid

2-(12-methylhexadecan-5-yl)propanedioic acid

Systemtic Name:2-(12-methylhexadecan-5-yl)propanedioic acid
Openeye Name:2-(1-butyl-8-methyl-dodecyl)propanedioic acid
CAS Name:2-(12-methylhexadecan-5-yl)propanedioic acid
IUPAC Name:2-(12-methylhexadecan-5-yl)propanedioic acid
Traditional Name:2-(1-butyl-8-methyl-dodecyl)malonic acid
Formula: C20H38O4
MolecularWeight: 342.51332
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CCCCCCC(CCCC)C(C(=O)O)C(=O)O


Isomeric SMILES

CCCCC(C)CCCCCCC(CCCC)C(C(=O)O)C(=O)O


InChI

InChI=1S/C20H38O4/c1-4-6-12-16(3)13-10-8-9-11-15-17(14-7-5-2)18(19(21)22)20(23)24/h16-18H,4-15H2,1-3H3,(H,21,22)(H,23,24)


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