1-adamantylphosphonic acid; N,N-diethylaniline

Systemtic Name: 1-adamantylphosphonic acid; N,N-diethylaniline Openeye Name: 1-adamantylphosphonic acid; N,N-diethylaniline CAS Name: 1-adamantylphosphonic acid; N,N-diethylaniline IUPAC Name: 1-adamantylphosphonic acid; N,N-diethylaniline Traditional Name: 1-adamantylphosphonic acid; diethyl(phenyl)amine Formula: C30H47N2O3P MolecularWeight: 514.679541

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=CC=C1.CCN(CC)C1=CC=CC=C1.C1C2CC3CC1CC(C2)(C3)P(=O)(O)O

Isomeric SMILES

CCN(CC)C1=CC=CC=C1.CCN(CC)C1=CC=CC=C1.C1C2CC3CC1CC(C2)(C3)P(=O)(O)O

InChI

InChI=1S/2C10H15N.C10H17O3P/c2*1-3-11(4-2)10-8-6-5-7-9-10;11-14(12,13)10-4-7-1-8(5-10)3-9(2-7)6-10/h2*5-9H,3-4H2,1-2H3;7-9H,1-6H2,(H2,11,12,13)