9-[2-methoxy-6-(9-phosphonoheptadecan-9-yl)naphthalen-1-yl]heptadecan-9-ylphosphonic acid

Systemtic Name: 9-[2-methoxy-6-(9-phosphonoheptadecan-9-yl)naphthalen-1-yl]heptadecan-9-ylphosphonic acid Openeye Name: [1-[2-methoxy-6-(1-octyl-1-phosphono-nonyl)-1-naphthyl]-1-octyl-nonyl]phosphonic acid CAS Name: 9-[2-methoxy-6-(9-phosphonoheptadecan-9-yl)-1-naphthalenyl]heptadecan-9-ylphosphonic acid IUPAC Name: 9-[2-methoxy-6-(9-phosphonoheptadecan-9-yl)naphthalen-1-yl]heptadecan-9-ylphosphonic acid Traditional Name: [1-[2-methoxy-6-(1-octyl-1-phosphono-nonyl)-1-naphthyl]-1-octyl-nonyl]phosphonic acid Formula: C45H80O7P2 MolecularWeight: 795.060022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCC)(C1=CC2=C(C=C1)C(=C(C=C2)OC)C(CCCCCCCC)(CCCCCCCC)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCCCCC(CCCCCCCC)(C1=CC2=C(C=C1)C(=C(C=C2)OC)C(CCCCCCCC)(CCCCCCCC)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C45H80O7P2/c1-6-10-14-18-22-26-34-44(53(46,47)48,35-27-23-19-15-11-7-2)40-31-32-41-39(38-40)30-33-42(52-5)43(41)45(54(49,50)51,36-28-24-20-16-12-8-3)37-29-25-21-17-13-9-4/h30-33,38H,6-29,34-37H2,1-5H3,(H2,46,47,48)(H2,49,50,51)