1-iodyl-3-octadecanoyl-naphthalene-2-carboxylic acid

Systemtic Name: 1-iodyl-3-octadecanoyl-naphthalene-2-carboxylic acid Openeye Name: 1-iodyl-3-octadecanoyl-naphthalene-2-carboxylic acid CAS Name: 1-iodyl-3-(1-oxooctadecyl)-2-naphthalenecarboxylic acid IUPAC Name: 1-iodyl-3-octadecanoylnaphthalene-2-carboxylic acid Traditional Name: 1-iodyl-3-stearoyl-2-naphthoic acid Formula: C29H41IO5 MolecularWeight: 596.53731

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=CC2=CC=CC=C2C(=C1C(=O)O)I(=O)=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=CC2=CC=CC=C2C(=C1C(=O)O)I(=O)=O

InChI

InChI=1S/C29H41IO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26(31)25-22-23-19-17-18-20-24(23)28(30(34)35)27(25)29(32)33/h17-20,22H,2-16,21H2,1H3,(H,32,33)