[3-bromanyl-1-(3-hexylphenyl)-2-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-bromanyl-1-(3-hexylphenyl)-2-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [3-bromo-1-(3-hexylphenyl)-2-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: [3-bromo-1-(3-hexylphenyl)-2-hydroxy-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-bromo-1-(3-hexylphenyl)-2-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: [3-bromo-1-(3-hexylphenyl)-2-hydroxy-1-phosphono-propyl]phosphonic acid Formula: C15H25BrO7P2 MolecularWeight: 459.206322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=CC=C1)C(C(CBr)O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCCC1=CC(=CC=C1)C(C(CBr)O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C15H25BrO7P2/c1-2-3-4-5-7-12-8-6-9-13(10-12)15(14(17)11-16,24(18,19)20)25(21,22)23/h6,8-10,14,17H,2-5,7,11H2,1H3,(H2,18,19,20)(H2,21,22,23)