3-[4-(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[4-(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid Openeye Name: [1-ethyl-1-[4-(1-ethyl-1-phosphono-propyl)phenyl]propyl]phosphonic acid CAS Name: 3-[4-(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[4-(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid Traditional Name: [1-ethyl-1-[4-(1-ethyl-1-phosphono-propyl)phenyl]propyl]phosphonic acid Formula: C16H28O6P2 MolecularWeight: 378.337442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=C(C=C1)C(CC)(CC)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC=C(C=C1)C(CC)(CC)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C16H28O6P2/c1-5-15(6-2,23(17,18)19)13-9-11-14(12-10-13)16(7-3,8-4)24(20,21)22/h9-12H,5-8H2,1-4H3,(H2,17,18,19)(H2,20,21,22)