[2-phosphono-4-(2-sulfanylethyl)-1,3-dihydropyrrolo[3,2-b]pyridin-4-ium-2-yl]phosphonic acid

Systemtic Name: [2-phosphono-4-(2-sulfanylethyl)-1,3-dihydropyrrolo[3,2-b]pyridin-4-ium-2-yl]phosphonic acid Openeye Name: [2-phosphono-4-(2-sulfanylethyl)-1,3-dihydropyrrolo[3,2-b]pyridin-4-ium-2-yl]phosphonic acid CAS Name: [4-(2-mercaptoethyl)-2-phosphono-1,3-dihydropyrrolo[3,2-b]pyridin-4-ium-2-yl]phosphonic acid IUPAC Name: [2-phosphono-4-(2-sulfanylethyl)-1,3-dihydropyrrolo[3,2-b]pyridin-4-ium-2-yl]phosphonic acid Traditional Name: [4-(2-mercaptoethyl)-2-phosphono-1,3-dihydropyrrolo[3,2-b]pyridin-4-ium-2-yl]phosphonic acid Formula: C9H15N2O6P2S+ MolecularWeight: 341.237722

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC=[N+]2CCS)NC1(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1C2=C(C=CC=[N+]2CCS)NC1(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H14N2O6P2S/c12-18(13,14)9(19(15,16)17)6-8-7(10-9)2-1-3-11(8)4-5-20/h1-3,10H,4-6H2,(H4-,12,13,14,15,16,17,20)/p+1