[1-phosphono-4-(4-propylphenyl)butyl]phosphonic acid

Systemtic Name: [1-phosphono-4-(4-propylphenyl)butyl]phosphonic acid Openeye Name: [1-phosphono-4-(4-propylphenyl)butyl]phosphonic acid CAS Name: [1-phosphono-4-(4-propylphenyl)butyl]phosphonic acid IUPAC Name: [1-phosphono-4-(4-propylphenyl)butyl]phosphonic acid Traditional Name: [1-phosphono-4-(4-propylphenyl)butyl]phosphonic acid Formula: C13H22O6P2 MolecularWeight: 336.257702

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)CCCC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)CCCC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C13H22O6P2/c1-2-4-11-7-9-12(10-8-11)5-3-6-13(20(14,15)16)21(17,18)19/h7-10,13H,2-6H2,1H3,(H2,14,15,16)(H2,17,18,19)