5-[5-(5-phosphonononan-5-yl)naphthalen-1-yl]nonan-5-ylphosphonic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(C1=CC=CC2=C1C=CC=C2C(CCCC)(CCCC)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCC(CCCC)(C1=CC=CC2=C1C=CC=C2C(CCCC)(CCCC)P(=O)(O)O)P(=O)(O)O

InChI

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