(3-cyclohexyl-1-oxidanyl-1-phosphono-propyl)phosphonic acid; phenylmethanamine

Systemtic Name: (3-cyclohexyl-1-oxidanyl-1-phosphono-propyl)phosphonic acid; phenylmethanamine Openeye Name: (3-cyclohexyl-1-hydroxy-1-phosphono-propyl)phosphonic acid; phenylmethanamine CAS Name: (3-cyclohexyl-1-hydroxy-1-phosphonopropyl)phosphonic acid; phenylmethanamine IUPAC Name: (3-cyclohexyl-1-hydroxy-1-phosphonopropyl)phosphonic acid; phenylmethanamine Traditional Name: benzylamine; (3-cyclohexyl-1-hydroxy-1-phosphono-propyl)phosphonic acid Formula: C16H29NO7P2 MolecularWeight: 409.351482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(O)(P(=O)(O)O)P(=O)(O)O.C1=CC=C(C=C1)CN

Isomeric SMILES

C1CCC(CC1)CCC(O)(P(=O)(O)O)P(=O)(O)O.C1=CC=C(C=C1)CN

InChI

InChI=1S/C9H20O7P2.C7H9N/c10-9(17(11,12)13,18(14,15)16)7-6-8-4-2-1-3-5-8;8-6-7-4-2-1-3-5-7/h8,10H,1-7H2,(H2,11,12,13)(H2,14,15,16);1-5H,6,8H2