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

Systemtic Name: 2-iodyl-3,5-dioctadecyl-naphthalene-1-carboxylic acid Openeye Name: 2-iodyl-3,5-dioctadecyl-naphthalene-1-carboxylic acid CAS Name: 2-iodyl-3,5-dioctadecyl-1-naphthalenecarboxylic acid IUPAC Name: 2-iodyl-3,5-dioctadecylnaphthalene-1-carboxylic acid Traditional Name: 2-iodyl-3,5-distearyl-1-naphthoic acid Formula: C47H79IO4 MolecularWeight: 835.03223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H79IO4/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)52)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)