1-[[8-(phosphonomethyl)naphthalen-1-yl]methoxy]octan-4-ylphosphonic acid

Systemtic Name: 1-[[8-(phosphonomethyl)naphthalen-1-yl]methoxy]octan-4-ylphosphonic acid Openeye Name: 1-[3-[[8-(phosphonomethyl)-1-naphthyl]methoxy]propyl]pentylphosphonic acid CAS Name: 1-[[8-(phosphonomethyl)-1-naphthalenyl]methoxy]octan-4-ylphosphonic acid IUPAC Name: 1-[[8-(phosphonomethyl)naphthalen-1-yl]methoxy]octan-4-ylphosphonic acid Traditional Name: 1-[3-[[8-(phosphonomethyl)-1-naphthyl]methoxy]propyl]pentylphosphonic acid Formula: C20H30O7P2 MolecularWeight: 444.395522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCOCC1=CC=CC2=C1C(=CC=C2)CP(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCC(CCCOCC1=CC=CC2=C1C(=CC=C2)CP(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C20H30O7P2/c1-2-3-11-19(29(24,25)26)12-6-13-27-14-17-9-4-7-16-8-5-10-18(20(16)17)15-28(21,22)23/h4-5,7-10,19H,2-3,6,11-15H2,1H3,(H2,21,22,23)(H2,24,25,26)