[7-(1-methylimidazol-2-yl)sulfanyl-1-phosphono-heptyl]phosphonic acid

Systemtic Name: [7-(1-methylimidazol-2-yl)sulfanyl-1-phosphono-heptyl]phosphonic acid Openeye Name: [7-(1-methylimidazol-2-yl)sulfanyl-1-phosphono-heptyl]phosphonic acid CAS Name: [7-[(1-methyl-2-imidazolyl)thio]-1-phosphonoheptyl]phosphonic acid IUPAC Name: [7-(1-methylimidazol-2-yl)sulfanyl-1-phosphonoheptyl]phosphonic acid Traditional Name: [7-[(1-methylimidazol-2-yl)thio]-1-phosphono-heptyl]phosphonic acid Formula: C11H22N2O6P2S MolecularWeight: 372.314702

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCCCCCC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CN1C=CN=C1SCCCCCCC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C11H22N2O6P2S/c1-13-8-7-12-11(13)22-9-5-3-2-4-6-10(20(14,15)16)21(17,18)19/h7-8,10H,2-6,9H2,1H3,(H2,14,15,16)(H2,17,18,19)