5-[6-(5-phosphonononan-5-yl)naphthalen-2-yl]nonan-5-ylphosphonic acid

Systemtic Name: 5-[6-(5-phosphonononan-5-yl)naphthalen-2-yl]nonan-5-ylphosphonic acid Openeye Name: [1-butyl-1-[6-(1-butyl-1-phosphono-pentyl)-2-naphthyl]pentyl]phosphonic acid CAS Name: 5-[6-(5-phosphonononan-5-yl)-2-naphthalenyl]nonan-5-ylphosphonic acid IUPAC Name: 5-[6-(5-phosphonononan-5-yl)naphthalen-2-yl]nonan-5-ylphosphonic acid Traditional Name: [1-butyl-1-[6-(1-butyl-1-phosphono-pentyl)-2-naphthyl]pentyl]phosphonic acid Formula: C28H46O6P2 MolecularWeight: 540.608762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(C1=CC2=C(C=C1)C=C(C=C2)C(CCCC)(CCCC)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCC(CCCC)(C1=CC2=C(C=C1)C=C(C=C2)C(CCCC)(CCCC)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C28H46O6P2/c1-5-9-17-27(18-10-6-2,35(29,30)31)25-15-13-24-22-26(16-14-23(24)21-25)28(19-11-7-3,20-12-8-4)36(32,33)34/h13-16,21-22H,5-12,17-20H2,1-4H3,(H2,29,30,31)(H2,32,33,34)