3-(4-bromanyl-6-cyano-naphthalen-2-yl)pentan-3-ylphosphonic acid

Systemtic Name: 3-(4-bromanyl-6-cyano-naphthalen-2-yl)pentan-3-ylphosphonic acid Openeye Name: [1-(4-bromo-6-cyano-2-naphthyl)-1-ethyl-propyl]phosphonic acid CAS Name: 3-(4-bromo-6-cyano-2-naphthalenyl)pentan-3-ylphosphonic acid IUPAC Name: 3-(4-bromo-6-cyanonaphthalen-2-yl)pentan-3-ylphosphonic acid Traditional Name: [1-(4-bromo-6-cyano-2-naphthyl)-1-ethyl-propyl]phosphonic acid Formula: C16H17BrNO3P MolecularWeight: 382.188841

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C2C=C(C=CC2=C1)C#N)Br)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC(=C2C=C(C=CC2=C1)C#N)Br)P(=O)(O)O

InChI

InChI=1S/C16H17BrNO3P/c1-3-16(4-2,22(19,20)21)13-8-12-6-5-11(10-18)7-14(12)15(17)9-13/h5-9H,3-4H2,1-2H3,(H2,19,20,21)