1-iodosyl-3,5,6-trioctadecyl-naphthalene-2-carboxylic acid

Systemtic Name: 1-iodosyl-3,5,6-trioctadecyl-naphthalene-2-carboxylic acid Openeye Name: 1-iodosyl-3,5,6-trioctadecyl-naphthalene-2-carboxylic acid CAS Name: 1-iodosyl-3,5,6-trioctadecyl-2-naphthalenecarboxylic acid IUPAC Name: 1-iodosyl-3,5,6-trioctadecylnaphthalene-2-carboxylic acid Traditional Name: 1-iodosyl-3,5,6-tristearyl-2-naphthoic acid Formula: C65H115IO3 MolecularWeight: 1071.51127

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C2=CC(=C(C(=C2C=C1)I=O)C(=O)O)CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C2=CC(=C(C(=C2C=C1)I=O)C(=O)O)CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C65H115IO3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58-55-56-61-62(60(58)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)57-59(63(65(67)68)64(61)66-69)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h55-57H,4-54H2,1-3H3,(H,67,68)