[5-[4-(bromomethyl)phenyl]-2-(3-methylbutoxy)phenyl]phosphonic acid

Systemtic Name: [5-[4-(bromomethyl)phenyl]-2-(3-methylbutoxy)phenyl]phosphonic acid Openeye Name: [5-[4-(bromomethyl)phenyl]-2-isopentyloxy-phenyl]phosphonic acid CAS Name: [5-[4-(bromomethyl)phenyl]-2-(3-methylbutoxy)phenyl]phosphonic acid IUPAC Name: [5-[4-(bromomethyl)phenyl]-2-(3-methylbutoxy)phenyl]phosphonic acid Traditional Name: [5-[4-(bromomethyl)phenyl]-2-isoamoxy-phenyl]phosphonic acid Formula: C18H22BrO4P MolecularWeight: 413.242641

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C2=CC=C(C=C2)CBr)P(=O)(O)O

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C2=CC=C(C=C2)CBr)P(=O)(O)O

InChI

InChI=1S/C18H22BrO4P/c1-13(2)9-10-23-17-8-7-16(11-18(17)24(20,21)22)15-5-3-14(12-19)4-6-15/h3-8,11,13H,9-10,12H2,1-2H3,(H2,20,21,22)