2-(3-ethyl-4-oxidanyl-2-pentyl-5-propan-2-yl-phenyl)heptan-2-ylphosphonic acid

Systemtic Name: 2-(3-ethyl-4-oxidanyl-2-pentyl-5-propan-2-yl-phenyl)heptan-2-ylphosphonic acid Openeye Name: [1-(3-ethyl-4-hydroxy-5-isopropyl-2-pentyl-phenyl)-1-methyl-hexyl]phosphonic acid CAS Name: 2-(3-ethyl-4-hydroxy-2-pentyl-5-propan-2-ylphenyl)heptan-2-ylphosphonic acid IUPAC Name: 2-(3-ethyl-4-hydroxy-2-pentyl-5-propan-2-ylphenyl)heptan-2-ylphosphonic acid Traditional Name: [1-(2-amyl-3-ethyl-4-hydroxy-5-isopropyl-phenyl)-1-methyl-hexyl]phosphonic acid Formula: C23H41O4P MolecularWeight: 412.543001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1C(C)(CCCCC)P(=O)(O)O)C(C)C)O)CC

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1C(C)(CCCCC)P(=O)(O)O)C(C)C)O)CC

InChI

InChI=1S/C23H41O4P/c1-7-10-12-14-19-18(9-3)22(24)20(17(4)5)16-21(19)23(6,28(25,26)27)15-13-11-8-2/h16-17,24H,7-15H2,1-6H3,(H2,25,26,27)