3-[3,6-bis(3-phosphonopentan-3-yl)naphthalen-2-yl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[3,6-bis(3-phosphonopentan-3-yl)naphthalen-2-yl]pentan-3-ylphosphonic acid Openeye Name: [1-[3,6-bis(1-ethyl-1-phosphono-propyl)-2-naphthyl]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[3,6-bis(3-phosphonopentan-3-yl)-2-naphthalenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[3,6-bis(3-phosphonopentan-3-yl)naphthalen-2-yl]pentan-3-ylphosphonic acid Traditional Name: [1-[3,6-bis(1-ethyl-1-phosphono-propyl)-2-naphthyl]-1-ethyl-propyl]phosphonic acid Formula: C25H41O9P3 MolecularWeight: 578.508923

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC2=CC(=C(C=C2C=C1)C(CC)(CC)P(=O)(O)O)C(CC)(CC)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC2=CC(=C(C=C2C=C1)C(CC)(CC)P(=O)(O)O)C(CC)(CC)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C25H41O9P3/c1-7-23(8-2,35(26,27)28)20-14-13-18-16-21(24(9-3,10-4)36(29,30)31)22(17-19(18)15-20)25(11-5,12-6)37(32,33)34/h13-17H,7-12H2,1-6H3,(H2,26,27,28)(H2,29,30,31)(H2,32,33,34)