[1-azanyl-4-(4-chlorophenyl)sulfanyl-1-phosphono-butyl]phosphonic acid

Systemtic Name: [1-azanyl-4-(4-chlorophenyl)sulfanyl-1-phosphono-butyl]phosphonic acid Openeye Name: [1-amino-4-(4-chlorophenyl)sulfanyl-1-phosphono-butyl]phosphonic acid CAS Name: [1-amino-4-[(4-chlorophenyl)thio]-1-phosphonobutyl]phosphonic acid IUPAC Name: [1-amino-4-(4-chlorophenyl)sulfanyl-1-phosphonobutyl]phosphonic acid Traditional Name: [1-amino-4-[(4-chlorophenyl)thio]-1-phosphono-butyl]phosphonic acid Formula: C10H16ClNO6P2S MolecularWeight: 375.702662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCCC(N)(P(=O)(O)O)P(=O)(O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1SCCCC(N)(P(=O)(O)O)P(=O)(O)O)Cl

InChI

InChI=1S/C10H16ClNO6P2S/c11-8-2-4-9(5-3-8)21-7-1-6-10(12,19(13,14)15)20(16,17)18/h2-5H,1,6-7,12H2,(H2,13,14,15)(H2,16,17,18)