(2-methyl-1-phenylsulfanyl-1-phosphono-propyl)phosphonic acid

Systemtic Name: (2-methyl-1-phenylsulfanyl-1-phosphono-propyl)phosphonic acid Openeye Name: (2-methyl-1-phenylsulfanyl-1-phosphono-propyl)phosphonic acid CAS Name: [2-methyl-1-(phenylthio)-1-phosphonopropyl]phosphonic acid IUPAC Name: (2-methyl-1-phenylsulfanyl-1-phosphonopropyl)phosphonic acid Traditional Name: [2-methyl-1-(phenylthio)-1-phosphono-propyl]phosphonic acid Formula: C10H16O6P2S MolecularWeight: 326.242962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(P(=O)(O)O)(P(=O)(O)O)SC1=CC=CC=C1

Isomeric SMILES

CC(C)C(P(=O)(O)O)(P(=O)(O)O)SC1=CC=CC=C1

InChI

InChI=1S/C10H16O6P2S/c1-8(2)10(17(11,12)13,18(14,15)16)19-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,11,12,13)(H2,14,15,16)