tributyl phosphate; 2,4,6-tris(bromanyl)phenol

Systemtic Name: tributyl phosphate; 2,4,6-tris(bromanyl)phenol Openeye Name: 2,4,6-tribromophenol; tributyl phosphate CAS Name: phosphoric acid tributyl ester; 2,4,6-tribromophenol IUPAC Name: 2,4,6-tribromophenol; tributyl phosphate Traditional Name: phosphoric acid tributyl ester; 2,4,6-tribromophenol Formula: C18H30Br3O5P MolecularWeight: 597.113561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(=O)(OCCCC)OCCCC.C1=C(C=C(C(=C1Br)O)Br)Br

Isomeric SMILES

CCCCOP(=O)(OCCCC)OCCCC.C1=C(C=C(C(=C1Br)O)Br)Br

InChI

InChI=1S/C12H27O4P.C6H3Br3O/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3;7-3-1-4(8)6(10)5(9)2-3/h4-12H2,1-3H3;1-2,10H