aniline; (3-phosphono-1-adamantyl)phosphonic acid

Systemtic Name: aniline; (3-phosphono-1-adamantyl)phosphonic acid Openeye Name: aniline; (3-phosphono-1-adamantyl)phosphonic acid CAS Name: aniline; (3-phosphono-1-adamantyl)phosphonic acid IUPAC Name: aniline; (3-phosphono-1-adamantyl)phosphonic acid Traditional Name: phenylamine; (3-phosphono-1-adamantyl)phosphonic acid Formula: C22H32N2O6P2 MolecularWeight: 482.446802

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)P(=O)(O)O)P(=O)(O)O.C1=CC=C(C=C1)N.C1=CC=C(C=C1)N

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)P(=O)(O)O)P(=O)(O)O.C1=CC=C(C=C1)N.C1=CC=C(C=C1)N

InChI

InChI=1S/C10H18O6P2.2C6H7N/c11-17(12,13)9-2-7-1-8(4-9)5-10(3-7,6-9)18(14,15)16;2*7-6-4-2-1-3-5-6/h7-8H,1-6H2,(H2,11,12,13)(H2,14,15,16);2*1-5H,7H2