1-adamantylphosphonic acid; aniline

Systemtic Name: 1-adamantylphosphonic acid; aniline Openeye Name: 1-adamantylphosphonic acid; aniline CAS Name: 1-adamantylphosphonic acid; aniline IUPAC Name: 1-adamantylphosphonic acid; aniline Traditional Name: 1-adamantylphosphonic acid; phenylamine Formula: C22H31N2O3P MolecularWeight: 402.466901

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)P(=O)(O)O.C1=CC=C(C=C1)N.C1=CC=C(C=C1)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)P(=O)(O)O.C1=CC=C(C=C1)N.C1=CC=C(C=C1)N

InChI

InChI=1S/C10H17O3P.2C6H7N/c11-14(12,13)10-4-7-1-8(5-10)3-9(2-7)6-10;2*7-6-4-2-1-3-5-6/h7-9H,1-6H2,(H2,11,12,13);2*1-5H,7H2