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2-[2-(dioctylamino)phenyl]-2-oxidanyl-propanedioic acid

2-[2-(dioctylamino)phenyl]-2-oxidanyl-propanedioic acid

Systemtic Name:2-[2-(dioctylamino)phenyl]-2-oxidanyl-propanedioic acid
Openeye Name:2-[2-(dioctylamino)phenyl]-2-hydroxy-propanedioic acid
CAS Name:2-[2-(dioctylamino)phenyl]-2-hydroxypropanedioic acid
IUPAC Name:2-[2-(dioctylamino)phenyl]-2-hydroxypropanedioic acid
Traditional Name:2-[2-(dioctylamino)phenyl]-2-hydroxy-malonic acid
Formula: C25H41NO5
MolecularWeight: 435.59674
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)C1=CC=CC=C1C(C(=O)O)(C(=O)O)O


Isomeric SMILES

CCCCCCCCN(CCCCCCCC)C1=CC=CC=C1C(C(=O)O)(C(=O)O)O


InChI

InChI=1S/C25H41NO5/c1-3-5-7-9-11-15-19-26(20-16-12-10-8-6-4-2)22-18-14-13-17-21(22)25(31,23(27)28)24(29)30/h13-14,17-18,31H,3-12,15-16,19-20H2,1-2H3,(H,27,28)(H,29,30)


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