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2-octyltridecanedioic acid

2-octyltridecanedioic acid

Systemtic Name:2-octyltridecanedioic acid
Openeye Name:2-octyltridecanedioic acid
CAS Name:2-octyltridecanedioic acid
IUPAC Name:2-octyltridecanedioic acid
Traditional Name:2-octylbrassylic acid
Formula: C21H40O4
MolecularWeight: 356.5399
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCCCCC(=O)O)C(=O)O


Isomeric SMILES

CCCCCCCCC(CCCCCCCCCCC(=O)O)C(=O)O


InChI

InChI=1S/C21H40O4/c1-2-3-4-5-10-13-16-19(21(24)25)17-14-11-8-6-7-9-12-15-18-20(22)23/h19H,2-18H2,1H3,(H,22,23)(H,24,25)


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