[4-(5-bromanyl-6-oxidanyl-naphthalen-1-yl)-3,5-dimethyl-phenoxy]methylphosphonic acid

Systemtic Name: [4-(5-bromanyl-6-oxidanyl-naphthalen-1-yl)-3,5-dimethyl-phenoxy]methylphosphonic acid Openeye Name: [4-(5-bromo-6-hydroxy-1-naphthyl)-3,5-dimethyl-phenoxy]methylphosphonic acid CAS Name: [4-(5-bromo-6-hydroxy-1-naphthalenyl)-3,5-dimethylphenoxy]methylphosphonic acid IUPAC Name: [4-(5-bromo-6-hydroxynaphthalen-1-yl)-3,5-dimethylphenoxy]methylphosphonic acid Traditional Name: [4-(5-bromo-6-hydroxy-1-naphthyl)-3,5-dimethyl-phenoxy]methylphosphonic acid Formula: C19H18BrO5P MolecularWeight: 437.220981

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=CC=CC3=C2C=CC(=C3Br)O)C)OCP(=O)(O)O

Isomeric SMILES

CC1=CC(=CC(=C1C2=CC=CC3=C2C=CC(=C3Br)O)C)OCP(=O)(O)O

InChI

InChI=1S/C19H18BrO5P/c1-11-8-13(25-10-26(22,23)24)9-12(2)18(11)15-4-3-5-16-14(15)6-7-17(21)19(16)20/h3-9,21H,10H2,1-2H3,(H2,22,23,24)