3-iodyl-4,5,6-trioctadecyl-naphthalene-2-carboxylic acid

Systemtic Name: 3-iodyl-4,5,6-trioctadecyl-naphthalene-2-carboxylic acid Openeye Name: 3-iodyl-4,5,6-trioctadecyl-naphthalene-2-carboxylic acid CAS Name: 3-iodyl-4,5,6-trioctadecyl-2-naphthalenecarboxylic acid IUPAC Name: 3-iodyl-4,5,6-trioctadecylnaphthalene-2-carboxylic acid Traditional Name: 3-iodyl-4,5,6-tristearyl-2-naphthoic acid Formula: C65H115IO4 MolecularWeight: 1087.51067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C65H115IO4/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58-55-56-59-57-62(65(67)68)64(66(69)70)61(54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)63(59)60(58)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)