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2-(8-heptyloctadecan-8-yl)hexanedioic acid

2-(8-heptyloctadecan-8-yl)hexanedioic acid

Systemtic Name:2-(8-heptyloctadecan-8-yl)hexanedioic acid
Openeye Name:2-(1,1-diheptylundecyl)hexanedioic acid
CAS Name:2-(8-heptyloctadecan-8-yl)hexanedioic acid
IUPAC Name:2-(8-heptyloctadecan-8-yl)hexanedioic acid
Traditional Name:2-(1,1-diheptylundecyl)adipic acid
Formula: C31H60O4
MolecularWeight: 496.8057
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCC)(CCCCCCC)C(CCCC(=O)O)C(=O)O


Isomeric SMILES

CCCCCCCCCCC(CCCCCCC)(CCCCCCC)C(CCCC(=O)O)C(=O)O


InChI

InChI=1S/C31H60O4/c1-4-7-10-13-14-15-18-21-27-31(25-19-16-11-8-5-2,26-20-17-12-9-6-3)28(30(34)35)23-22-24-29(32)33/h28H,4-27H2,1-3H3,(H,32,33)(H,34,35)


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