(4-cyano-2,3-diethyl-naphthalen-1-yl)methylphosphonic acid

Systemtic Name: (4-cyano-2,3-diethyl-naphthalen-1-yl)methylphosphonic acid Openeye Name: (4-cyano-2,3-diethyl-1-naphthyl)methylphosphonic acid CAS Name: (4-cyano-2,3-diethyl-1-naphthalenyl)methylphosphonic acid IUPAC Name: (4-cyano-2,3-diethylnaphthalen-1-yl)methylphosphonic acid Traditional Name: (4-cyano-2,3-diethyl-1-naphthyl)methylphosphonic acid Formula: C16H18NO3P MolecularWeight: 303.292781

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2C(=C1CC)C#N)CP(=O)(O)O

Isomeric SMILES

CCC1=C(C2=CC=CC=C2C(=C1CC)C#N)CP(=O)(O)O

InChI

InChI=1S/C16H18NO3P/c1-3-11-12(4-2)16(10-21(18,19)20)14-8-6-5-7-13(14)15(11)9-17/h5-8H,3-4,10H2,1-2H3,(H2,18,19,20)