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

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

Systemtic Name:2-[2-(dihexylamino)phenyl]-2-oxidanyl-propanedioic acid
Openeye Name:2-[2-(dihexylamino)phenyl]-2-hydroxy-propanedioic acid
CAS Name:2-[2-(dihexylamino)phenyl]-2-hydroxypropanedioic acid
IUPAC Name:2-[2-(dihexylamino)phenyl]-2-hydroxypropanedioic acid
Traditional Name:2-[2-(dihexylamino)phenyl]-2-hydroxy-malonic acid
Formula: C21H33NO5
MolecularWeight: 379.49042
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C1=CC=CC=C1C(C(=O)O)(C(=O)O)O


Isomeric SMILES

CCCCCCN(CCCCCC)C1=CC=CC=C1C(C(=O)O)(C(=O)O)O


InChI

InChI=1S/C21H33NO5/c1-3-5-7-11-15-22(16-12-8-6-4-2)18-14-10-9-13-17(18)21(27,19(23)24)20(25)26/h9-10,13-14,27H,3-8,11-12,15-16H2,1-2H3,(H,23,24)(H,25,26)


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