2-[5-(1-adamantyl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]ethyl-sulfooxy-phosphinic acid

Systemtic Name: 2-[5-(1-adamantyl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]ethyl-sulfooxy-phosphinic acid Openeye Name: 2-[5-(1-adamantyl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]ethyl-sulfooxy-phosphinic acid CAS Name: 2-[5-(1-adamantyl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]ethyl-sulfooxyphosphinic acid IUPAC Name: 2-[5-(1-adamantyl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]ethyl-sulfooxyphosphinic acid Traditional Name: 2-[5-(1-adamantyl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]ethyl-sulfoxy-phosphinic acid Formula: C16H28O12P2S MolecularWeight: 506.398842

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4C(C(C(O4)CC[P+](O)([O-])OS(=O)(=O)O)OP(=O)(O)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4C(C(C(O4)CC[P+](O)([O-])OS(=O)(=O)O)OP(=O)(O)O)O

InChI

InChI=1S/C16H28O12P2S/c17-13-14(27-30(20,21)22)12(1-2-29(18,19)28-31(23,24)25)26-15(13)16-6-9-3-10(7-16)5-11(4-9)8-16/h9-15,17H,1-8H2,(H,18,19)(H2,20,21,22)(H,23,24,25)