3-iodyl-5-octadecyl-naphthalene-2-carboxylic acid

Systemtic Name: 3-iodyl-5-octadecyl-naphthalene-2-carboxylic acid Openeye Name: 3-iodyl-5-octadecyl-naphthalene-2-carboxylic acid CAS Name: 3-iodyl-5-octadecyl-2-naphthalenecarboxylic acid IUPAC Name: 3-iodyl-5-octadecylnaphthalene-2-carboxylic acid Traditional Name: 3-iodyl-5-stearyl-2-naphthoic acid Formula: C29H43IO4 MolecularWeight: 582.55379

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H43IO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-20-18-21-25-22-27(29(31)32)28(30(33)34)23-26(24)25/h18,20-23H,2-17,19H2,1H3,(H,31,32)