4-[2,4,6-trimethyl-3-(4-phosphonoheptan-4-yl)phenyl]heptan-4-ylphosphonic acid

Systemtic Name: 4-[2,4,6-trimethyl-3-(4-phosphonoheptan-4-yl)phenyl]heptan-4-ylphosphonic acid Openeye Name: [1-propyl-1-[2,4,6-trimethyl-3-(1-phosphono-1-propyl-butyl)phenyl]butyl]phosphonic acid CAS Name: 4-[2,4,6-trimethyl-3-(4-phosphonoheptan-4-yl)phenyl]heptan-4-ylphosphonic acid IUPAC Name: 4-[2,4,6-trimethyl-3-(4-phosphonoheptan-4-yl)phenyl]heptan-4-ylphosphonic acid Traditional Name: [1-propyl-1-[2,4,6-trimethyl-3-(1-phosphono-1-propyl-butyl)phenyl]butyl]phosphonic acid Formula: C23H42O6P2 MolecularWeight: 476.523502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H42O6P2/c1-8-12-22(13-9-2,30(24,25)26)20-17(5)16-18(6)21(19(20)7)23(14-10-3,15-11-4)31(27,28)29/h16H,8-15H2,1-7H3,(H2,24,25,26)(H2,27,28,29)