3-[2,4,6-trimethyl-3-(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[2,4,6-trimethyl-3-(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid Openeye Name: [1-ethyl-1-[3-(1-ethyl-1-phosphono-propyl)-2,4,6-trimethyl-phenyl]propyl]phosphonic acid CAS Name: 3-[2,4,6-trimethyl-3-(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[2,4,6-trimethyl-3-(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid Traditional Name: [1-ethyl-1-[3-(1-ethyl-1-phosphono-propyl)-2,4,6-trimethyl-phenyl]propyl]phosphonic acid Formula: C19H34O6P2 MolecularWeight: 420.417182

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=C(C(=C(C=C1C)C)C(CC)(CC)P(=O)(O)O)C)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=C(C(=C(C=C1C)C)C(CC)(CC)P(=O)(O)O)C)P(=O)(O)O

InChI

InChI=1S/C19H34O6P2/c1-8-18(9-2,26(20,21)22)16-13(5)12-14(6)17(15(16)7)19(10-3,11-4)27(23,24)25/h12H,8-11H2,1-7H3,(H2,20,21,22)(H2,23,24,25)