[(2-nitrophenyl)-oxidanyl-methyl]phosphonic acid; 2-octylthiirane

Systemtic Name: [(2-nitrophenyl)-oxidanyl-methyl]phosphonic acid; 2-octylthiirane Openeye Name: [hydroxy-(2-nitrophenyl)methyl]phosphonic acid; 2-octylthiirane CAS Name: [hydroxy-(2-nitrophenyl)methyl]phosphonic acid; 2-octylthiirane IUPAC Name: [hydroxy-(2-nitrophenyl)methyl]phosphonic acid; 2-octylthiirane Traditional Name: [hydroxy-(2-nitrophenyl)methyl]phosphonic acid; 2-octylthiirane Formula: C17H28NO6PS MolecularWeight: 405.446081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CS1.C1=CC=C(C(=C1)C(O)P(=O)(O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCC1CS1.C1=CC=C(C(=C1)C(O)P(=O)(O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H20S.C7H8NO6P/c1-2-3-4-5-6-7-8-10-9-11-10;9-7(15(12,13)14)5-3-1-2-4-6(5)8(10)11/h10H,2-9H2,1H3;1-4,7,9H,(H2,12,13,14)