[2-(6-methyl-4-oxidanylidene-2,3-dihydrothiochromen-3-yl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(6-methyl-4-oxidanylidene-2,3-dihydrothiochromen-3-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(6-methyl-4-oxo-thiochroman-3-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(6-methyl-4-oxo-2,3-dihydro-1-benzothiopyran-3-yl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(4-keto-6-methyl-thiochroman-3-yl)-1-phosphono-ethyl]phosphonic acid Formula: C12H16O7P2S MolecularWeight: 366.263762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SCC(C2=O)CC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=CC2=C(C=C1)SCC(C2=O)CC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H16O7P2S/c1-7-2-3-10-9(4-7)12(13)8(6-22-10)5-11(20(14,15)16)21(17,18)19/h2-4,8,11H,5-6H2,1H3,(H2,14,15,16)(H2,17,18,19)