[2-[(2R,3R)-4-oxidanylidene-2-phenyl-2,3-dihydrochromen-3-yl]-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[(2R,3R)-4-oxidanylidene-2-phenyl-2,3-dihydrochromen-3-yl]-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-[(2R,3R)-4-oxo-2-phenyl-chroman-3-yl]-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[(2R,3R)-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl]-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-[(2R,3R)-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl]-1-phosphonoethyl]phosphonic acid Traditional Name: [2-[(2R,3R)-4-keto-2-phenyl-chroman-3-yl]-1-phosphono-ethyl]phosphonic acid Formula: C17H18O8P2 MolecularWeight: 412.267542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=O)C3=CC=CC=C3O2)CC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)[C@H]2[C@H](C(=O)C3=CC=CC=C3O2)CC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C17H18O8P2/c18-16-12-8-4-5-9-14(12)25-17(11-6-2-1-3-7-11)13(16)10-15(26(19,20)21)27(22,23)24/h1-9,13,15,17H,10H2,(H2,19,20,21)(H2,22,23,24)/t13-,17-/m0/s1