N-ethylethanamine; (3-phosphonooxy-1-adamantyl) dihydrogen phosphate

Systemtic Name: N-ethylethanamine; (3-phosphonooxy-1-adamantyl) dihydrogen phosphate Openeye Name: N-ethylethanamine; (3-phosphonooxy-1-adamantyl) dihydrogen phosphate CAS Name: N-ethylethanamine; (3-phosphonooxy-1-adamantyl) dihydrogen phosphate IUPAC Name: N-ethylethanamine; (3-phosphonooxy-1-adamantyl) dihydrogen phosphate Traditional Name: diethylamine; (3-phosphonooxy-1-adamantyl) dihydrogen phosphate Formula: C26H62N4O8P2 MolecularWeight: 620.740002

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CCNCC.CCNCC.CCNCC.C1C2CC3(CC1CC(C2)(C3)OP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

CCNCC.CCNCC.CCNCC.CCNCC.C1C2CC3(CC1CC(C2)(C3)OP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C10H18O8P2.4C4H11N/c11-19(12,13)17-9-2-7-1-8(4-9)5-10(3-7,6-9)18-20(14,15)16;4*1-3-5-4-2/h7-8H,1-6H2,(H2,11,12,13)(H2,14,15,16);4*5H,3-4H2,1-2H3