5-dodecoxy-2-iodosyl-benzoic acid hydrate

Systemtic Name: 5-dodecoxy-2-iodosyl-benzoic acid hydrate Openeye Name: 5-dodecoxy-2-iodosyl-benzoic acid hydrate CAS Name: 5-dodecoxy-2-iodosylbenzoic acid hydrate IUPAC Name: 5-dodecoxy-2-iodosylbenzoic acid hydrate Traditional Name: 2-iodosyl-5-lauryloxy-benzoic acid hydrate Formula: C19H31IO5 MolecularWeight: 466.35091

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1)I=O)C(=O)O.O

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1)I=O)C(=O)O.O

InChI

InChI=1S/C19H29IO4.H2O/c1-2-3-4-5-6-7-8-9-10-11-14-24-16-12-13-18(20-23)17(15-16)19(21)22;/h12-13,15H,2-11,14H2,1H3,(H,21,22);1H2