3-chloranyl-3-oxidanyl-pentacosan-4-one; trimethylazanium

Systemtic Name: 3-chloranyl-3-oxidanyl-pentacosan-4-one; trimethylazanium Openeye Name: 3-chloro-3-hydroxy-pentacosan-4-one; trimethylammonium CAS Name: 3-chloro-3-hydroxy-4-pentacosanone; trimethylammonium IUPAC Name: 3-chloro-3-hydroxypentacosan-4-one; trimethylazanium Traditional Name: 3-chloro-3-hydroxy-pentacosan-4-one; trimethylammonium Formula: C28H59ClNO2+ MolecularWeight: 477.22656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)C(CC)(O)Cl.C[NH+](C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)C(CC)(O)Cl.C[NH+](C)C

InChI

InChI=1S/C25H49ClO2.C3H9N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(27)25(26,28)4-2;1-4(2)3/h28H,3-23H2,1-2H3;1-3H3/p+1