2-iodyl-5-octadecyl-naphthalene-1-carboxylic acid

Systemtic Name: 2-iodyl-5-octadecyl-naphthalene-1-carboxylic acid Openeye Name: 2-iodyl-5-octadecyl-naphthalene-1-carboxylic acid CAS Name: 2-iodyl-5-octadecyl-1-naphthalenecarboxylic acid IUPAC Name: 2-iodyl-5-octadecylnaphthalene-1-carboxylic acid Traditional Name: 2-iodyl-5-stearyl-1-naphthoic acid Formula: C29H43IO4 MolecularWeight: 582.55379

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=CC2=C1C=CC(=C2C(=O)O)I(=O)=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=CC2=C1C=CC(=C2C(=O)O)I(=O)=O

InChI

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