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sodium 4-[(decanoylamino)methyl]benzoic acid

sodium 4-[(decanoylamino)methyl]benzoic acid

Systemtic Name:sodium 4-[(decanoylamino)methyl]benzoic acid
Openeye Name:sodium 4-[(decanoylamino)methyl]benzoic acid
CAS Name:sodium 4-[(1-oxodecylamino)methyl]benzoic acid
IUPAC Name:sodium 4-[(decanoylamino)methyl]benzoic acid
Traditional Name:sodium 4-[(caprylamino)methyl]benzoic acid
Formula: C18H27NNaO3+
MolecularWeight: 328.40165
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NCC1=CC=C(C=C1)C(=O)O.[Na+]


Isomeric SMILES

CCCCCCCCCC(=O)NCC1=CC=C(C=C1)C(=O)O.[Na+]


InChI

InChI=1S/C18H27NO3.Na/c1-2-3-4-5-6-7-8-9-17(20)19-14-15-10-12-16(13-11-15)18(21)22;/h10-13H,2-9,14H2,1H3,(H,19,20)(H,21,22);/q;+1


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