42-bromanyl-2-oxidanylidene-dotetracontanoic acid

Systemtic Name: 42-bromanyl-2-oxidanylidene-dotetracontanoic acid Openeye Name: 42-bromo-2-oxo-dotetracontanoic acid CAS Name: 42-bromo-2-oxodotetracontanoic acid IUPAC Name: 42-bromo-2-oxodotetracontanoic acid Traditional Name: 42-bromo-2-keto-dotetracontanoic acid Formula: C42H81BrO3 MolecularWeight: 713.99474

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCCCCCCCCCCCCCCCBr)CCCCCCCCCCCCCCCCCCCC(=O)C(=O)O

Isomeric SMILES

C(CCCCCCCCCCCCCCCCCCCCBr)CCCCCCCCCCCCCCCCCCCC(=O)C(=O)O

InChI

InChI=1S/C42H81BrO3/c43-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41(44)42(45)46/h1-40H2,(H,45,46)