9-[5-(9-phosphonoheptadecan-9-yl)naphthalen-1-yl]heptadecan-9-ylphosphonic acid

Systemtic Name: 9-[5-(9-phosphonoheptadecan-9-yl)naphthalen-1-yl]heptadecan-9-ylphosphonic acid Openeye Name: [1-octyl-1-[5-(1-octyl-1-phosphono-nonyl)-1-naphthyl]nonyl]phosphonic acid CAS Name: 9-[5-(9-phosphonoheptadecan-9-yl)-1-naphthalenyl]heptadecan-9-ylphosphonic acid IUPAC Name: 9-[5-(9-phosphonoheptadecan-9-yl)naphthalen-1-yl]heptadecan-9-ylphosphonic acid Traditional Name: [1-octyl-1-[5-(1-octyl-1-phosphono-nonyl)-1-naphthyl]nonyl]phosphonic acid Formula: C44H78O6P2 MolecularWeight: 765.034042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCC)(C1=CC=CC2=C1C=CC=C2C(CCCCCCCC)(CCCCCCCC)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCCCCC(CCCCCCCC)(C1=CC=CC2=C1C=CC=C2C(CCCCCCCC)(CCCCCCCC)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C44H78O6P2/c1-5-9-13-17-21-25-35-43(51(45,46)47,36-26-22-18-14-10-6-2)41-33-29-32-40-39(41)31-30-34-42(40)44(52(48,49)50,37-27-23-19-15-11-7-3)38-28-24-20-16-12-8-4/h29-34H,5-28,35-38H2,1-4H3,(H2,45,46,47)(H2,48,49,50)