(5,9-diethyl-7-phosphono-tridecan-7-yl)phosphonic acid

Systemtic Name: (5,9-diethyl-7-phosphono-tridecan-7-yl)phosphonic acid Openeye Name: [3-ethyl-1-(2-ethylhexyl)-1-phosphono-heptyl]phosphonic acid CAS Name: (5,9-diethyl-7-phosphonotridecan-7-yl)phosphonic acid IUPAC Name: (5,9-diethyl-7-phosphonotridecan-7-yl)phosphonic acid Traditional Name: [3-ethyl-1-(2-ethylhexyl)-1-phosphono-heptyl]phosphonic acid Formula: C17H38O6P2 MolecularWeight: 400.427542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(CC(CC)CCCC)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCC(CC)CC(CC(CC)CCCC)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C17H38O6P2/c1-5-9-11-15(7-3)13-17(24(18,19)20,25(21,22)23)14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H2,18,19,20)(H2,21,22,23)