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2-iodosyl-3,5-dioctadecyl-naphthalene-1-carboxylic acid

2-iodosyl-3,5-dioctadecyl-naphthalene-1-carboxylic acid

Systemtic Name:2-iodosyl-3,5-dioctadecyl-naphthalene-1-carboxylic acid
Openeye Name:2-iodosyl-3,5-dioctadecyl-naphthalene-1-carboxylic acid
CAS Name:2-iodosyl-3,5-dioctadecyl-1-naphthalenecarboxylic acid
IUPAC Name:2-iodosyl-3,5-dioctadecylnaphthalene-1-carboxylic acid
Traditional Name:2-iodosyl-3,5-distearyl-1-naphthoic acid
Formula: C47H79IO3
MolecularWeight: 819.03283
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=CC2=C(C(=C(C=C21)CCCCCCCCCCCCCCCCCC)I=O)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=CC2=C(C(=C(C=C21)CCCCCCCCCCCCCCCCCC)I=O)C(=O)O


InChI

InChI=1S/C47H79IO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-41-38-35-39-43-44(41)40-42(46(48-51)45(43)47(49)50)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35,38-40H,3-34,36-37H2,1-2H3,(H,49,50)


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