3-[2-(3,7-dimethyloctyl)-5-methyl-4-(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[2-(3,7-dimethyloctyl)-5-methyl-4-(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid Openeye Name: [1-[2-(3,7-dimethyloctyl)-4-(1-ethyl-1-phosphono-propyl)-5-methyl-phenyl]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[2-(3,7-dimethyloctyl)-5-methyl-4-(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[2-(3,7-dimethyloctyl)-5-methyl-4-(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid Traditional Name: [1-[2-(3,7-dimethyloctyl)-4-(1-ethyl-1-phosphono-propyl)-5-methyl-phenyl]-1-ethyl-propyl]phosphonic acid Formula: C27H50O6P2 MolecularWeight: 532.629822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H50O6P2/c1-9-26(10-2,34(28,29)30)24-19-23(17-16-21(7)15-13-14-20(5)6)25(18-22(24)8)27(11-3,12-4)35(31,32)33/h18-21H,9-17H2,1-8H3,(H2,28,29,30)(H2,31,32,33)