(2,24-dimethyl-13-phosphono-pentacosan-13-yl)phosphonic acid

Systemtic Name: (2,24-dimethyl-13-phosphono-pentacosan-13-yl)phosphonic acid Openeye Name: [12-methyl-1-(11-methyldodecyl)-1-phosphono-tridecyl]phosphonic acid CAS Name: (2,24-dimethyl-13-phosphonopentacosan-13-yl)phosphonic acid IUPAC Name: (2,24-dimethyl-13-phosphonopentacosan-13-yl)phosphonic acid Traditional Name: [12-methyl-1-(11-methyldodecyl)-1-phosphono-tridecyl]phosphonic acid Formula: C27H58O6P2 MolecularWeight: 540.693342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCC(CCCCCCCCCCC(C)C)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(C)CCCCCCCCCCC(CCCCCCCCCCC(C)C)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C27H58O6P2/c1-25(2)21-17-13-9-5-7-11-15-19-23-27(34(28,29)30,35(31,32)33)24-20-16-12-8-6-10-14-18-22-26(3)4/h25-26H,5-24H2,1-4H3,(H2,28,29,30)(H2,31,32,33)