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

Systemtic Name: 9-[2,4,6-trimethyl-3-(9-phosphonoheptadecan-9-yl)phenyl]heptadecan-9-ylphosphonic acid Openeye Name: [1-octyl-1-[2,4,6-trimethyl-3-(1-octyl-1-phosphono-nonyl)phenyl]nonyl]phosphonic acid CAS Name: 9-[2,4,6-trimethyl-3-(9-phosphonoheptadecan-9-yl)phenyl]heptadecan-9-ylphosphonic acid IUPAC Name: 9-[2,4,6-trimethyl-3-(9-phosphonoheptadecan-9-yl)phenyl]heptadecan-9-ylphosphonic acid Traditional Name: [1-octyl-1-[2,4,6-trimethyl-3-(1-octyl-1-phosphono-nonyl)phenyl]nonyl]phosphonic acid Formula: C43H82O6P2 MolecularWeight: 757.055102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H82O6P2/c1-8-12-16-20-24-28-32-42(50(44,45)46,33-29-25-21-17-13-9-2)40-37(5)36-38(6)41(39(40)7)43(51(47,48)49,34-30-26-22-18-14-10-3)35-31-27-23-19-15-11-4/h36H,8-35H2,1-7H3,(H2,44,45,46)(H2,47,48,49)