8-bromanyl-6-(3-phosphonatopentan-3-yl)naphthalene-2-carbonitrile

Systemtic Name: 8-bromanyl-6-(3-phosphonatopentan-3-yl)naphthalene-2-carbonitrile Openeye Name: 8-bromo-6-(1-ethyl-1-phosphonato-propyl)naphthalene-2-carbonitrile CAS Name: 8-bromo-6-(3-phosphonatopentan-3-yl)-2-naphthalenecarbonitrile IUPAC Name: 8-bromo-6-(3-phosphonatopentan-3-yl)naphthalene-2-carbonitrile Traditional Name: 8-bromo-6-(1-ethyl-1-phosphonato-propyl)naphthalene-2-carbonitrile Formula: C16H15BrNO3P-2 MolecularWeight: 380.172961

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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)/p-2