[5-(3-nitrophenyl)-1-phosphono-2-sulfanyl-pentyl]phosphonic acid

Systemtic Name: [5-(3-nitrophenyl)-1-phosphono-2-sulfanyl-pentyl]phosphonic acid Openeye Name: [5-(3-nitrophenyl)-1-phosphono-2-sulfanyl-pentyl]phosphonic acid CAS Name: [2-mercapto-5-(3-nitrophenyl)-1-phosphonopentyl]phosphonic acid IUPAC Name: [5-(3-nitrophenyl)-1-phosphono-2-sulfanylpentyl]phosphonic acid Traditional Name: [2-mercapto-5-(3-nitrophenyl)-1-phosphono-pentyl]phosphonic acid Formula: C11H17NO8P2S MolecularWeight: 385.267102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CCCC(C(P(=O)(O)O)P(=O)(O)O)S

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CCCC(C(P(=O)(O)O)P(=O)(O)O)S

InChI

InChI=1S/C11H17NO8P2S/c13-12(14)9-5-1-3-8(7-9)4-2-6-10(23)11(21(15,16)17)22(18,19)20/h1,3,5,7,10-11,23H,2,4,6H2,(H2,15,16,17)(H2,18,19,20)