[1-azanyl-3-(3,4-dichlorophenyl)sulfanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [1-azanyl-3-(3,4-dichlorophenyl)sulfanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-amino-3-(3,4-dichlorophenyl)sulfanyl-1-phosphono-propyl]phosphonic acid CAS Name: [1-amino-3-[(3,4-dichlorophenyl)thio]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-amino-3-(3,4-dichlorophenyl)sulfanyl-1-phosphonopropyl]phosphonic acid Traditional Name: [1-amino-3-[(3,4-dichlorophenyl)thio]-1-phosphono-propyl]phosphonic acid Formula: C9H13Cl2NO6P2S MolecularWeight: 396.121142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SCCC(N)(P(=O)(O)O)P(=O)(O)O)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1SCCC(N)(P(=O)(O)O)P(=O)(O)O)Cl)Cl

InChI

InChI=1S/C9H13Cl2NO6P2S/c10-7-2-1-6(5-8(7)11)21-4-3-9(12,19(13,14)15)20(16,17)18/h1-2,5H,3-4,12H2,(H2,13,14,15)(H2,16,17,18)