3-iodyl-4,5-dioctadecyl-naphthalene-2-carboxylic acid

Systemtic Name: 3-iodyl-4,5-dioctadecyl-naphthalene-2-carboxylic acid Openeye Name: 3-iodyl-4,5-dioctadecyl-naphthalene-2-carboxylic acid CAS Name: 3-iodyl-4,5-dioctadecyl-2-naphthalenecarboxylic acid IUPAC Name: 3-iodyl-4,5-dioctadecylnaphthalene-2-carboxylic acid Traditional Name: 3-iodyl-4,5-distearyl-2-naphthoic acid Formula: C47H79IO4 MolecularWeight: 835.03223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H79IO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-41-37-35-38-42-40-44(47(49)50)46(48(51)52)43(45(41)42)39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35,37-38,40H,3-34,36,39H2,1-2H3,(H,49,50)