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sodium 4-[(16-methoxy-16-oxidanylidene-hexadec-4-ynyl)amino]benzoate

sodium 4-[(16-methoxy-16-oxidanylidene-hexadec-4-ynyl)amino]benzoate

Systemtic Name:sodium 4-[(16-methoxy-16-oxidanylidene-hexadec-4-ynyl)amino]benzoate
Openeye Name:sodium 4-[(16-methoxy-16-oxo-hexadec-4-ynyl)amino]benzoate
CAS Name:sodium 4-[(16-methoxy-16-oxohexadec-4-ynyl)amino]benzoate
IUPAC Name:sodium 4-[(16-methoxy-16-oxohexadec-4-ynyl)amino]benzoate
Traditional Name:sodium 4-[(16-keto-16-methoxy-hexadec-4-ynyl)amino]benzoate
Formula: C24H34NNaO4
MolecularWeight: 423.52083
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCCCCC#CCCCNC1=CC=C(C=C1)C(=O)[O-].[Na+]


Isomeric SMILES

COC(=O)CCCCCCCCCCC#CCCCNC1=CC=C(C=C1)C(=O)[O-].[Na+]


InChI

InChI=1S/C24H35NO4.Na/c1-29-23(26)15-13-11-9-7-5-3-2-4-6-8-10-12-14-20-25-22-18-16-21(17-19-22)24(27)28;/h16-19,25H,2-7,9,11-15,20H2,1H3,(H,27,28);/q;+1/p-1


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