9-[2,4,6-trimethyl-3,5-bis(9-phosphonoheptadecan-9-yl)phenyl]heptadecan-9-ylphosphonic acid

Systemtic Name: 9-[2,4,6-trimethyl-3,5-bis(9-phosphonoheptadecan-9-yl)phenyl]heptadecan-9-ylphosphonic acid Openeye Name: [1-octyl-1-[2,4,6-trimethyl-3,5-bis(1-octyl-1-phosphono-nonyl)phenyl]nonyl]phosphonic acid CAS Name: 9-[2,4,6-trimethyl-3,5-bis(9-phosphonoheptadecan-9-yl)phenyl]heptadecan-9-ylphosphonic acid IUPAC Name: 9-[2,4,6-trimethyl-3,5-bis(9-phosphonoheptadecan-9-yl)phenyl]heptadecan-9-ylphosphonic acid Traditional Name: [1-octyl-1-[2,4,6-trimethyl-3,5-bis(1-octyl-1-phosphono-nonyl)phenyl]nonyl]phosphonic acid Formula: C60H117O9P3 MolecularWeight: 1075.486863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCC)(C1=C(C(=C(C(=C1C)C(CCCCCCCC)(CCCCCCCC)P(=O)(O)O)C)C(CCCCCCCC)(CCCCCCCC)P(=O)(O)O)C)P(=O)(O)O

Isomeric SMILES

CCCCCCCCC(CCCCCCCC)(C1=C(C(=C(C(=C1C)C(CCCCCCCC)(CCCCCCCC)P(=O)(O)O)C)C(CCCCCCCC)(CCCCCCCC)P(=O)(O)O)C)P(=O)(O)O

InChI

InChI=1S/C60H117O9P3/c1-10-16-22-28-34-40-46-58(70(61,62)63,47-41-35-29-23-17-11-2)55-52(7)56(59(71(64,65)66,48-42-36-30-24-18-12-3)49-43-37-31-25-19-13-4)54(9)57(53(55)8)60(72(67,68)69,50-44-38-32-26-20-14-5)51-45-39-33-27-21-15-6/h10-51H2,1-9H3,(H2,61,62,63)(H2,64,65,66)(H2,67,68,69)