3-[3,6,7-tris(3-phosphonopentan-3-yl)naphthalen-2-yl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[3,6,7-tris(3-phosphonopentan-3-yl)naphthalen-2-yl]pentan-3-ylphosphonic acid Openeye Name: [1-ethyl-1-[3,6,7-tris(1-ethyl-1-phosphono-propyl)-2-naphthyl]propyl]phosphonic acid CAS Name: 3-[3,6,7-tris(3-phosphonopentan-3-yl)-2-naphthalenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[3,6,7-tris(3-phosphonopentan-3-yl)naphthalen-2-yl]pentan-3-ylphosphonic acid Traditional Name: [1-ethyl-1-[3,6,7-tris(1-ethyl-1-phosphono-propyl)-2-naphthyl]propyl]phosphonic acid Formula: C30H52O12P4 MolecularWeight: 728.621724

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC2=CC(=C(C=C2C=C1C(CC)(CC)P(=O)(O)O)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=C1C(CC)(CC)P(=O)(O)O)C(CC)(CC)P(=O)(O)O)C(CC)(CC)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C30H52O12P4/c1-9-27(10-2,43(31,32)33)23-17-21-19-25(29(13-5,14-6)45(37,38)39)26(30(15-7,16-8)46(40,41)42)20-22(21)18-24(23)28(11-3,12-4)44(34,35)36/h17-20H,9-16H2,1-8H3,(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)