3-[2-methoxy-6-(3-phosphonopentan-3-yl)naphthalen-1-yl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[2-methoxy-6-(3-phosphonopentan-3-yl)naphthalen-1-yl]pentan-3-ylphosphonic acid Openeye Name: [1-ethyl-1-[5-(1-ethyl-1-phosphono-propyl)-6-methoxy-2-naphthyl]propyl]phosphonic acid CAS Name: 3-[2-methoxy-6-(3-phosphonopentan-3-yl)-1-naphthalenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[2-methoxy-6-(3-phosphonopentan-3-yl)naphthalen-1-yl]pentan-3-ylphosphonic acid Traditional Name: [1-ethyl-1-[5-(1-ethyl-1-phosphono-propyl)-6-methoxy-2-naphthyl]propyl]phosphonic acid Formula: C21H32O7P2 MolecularWeight: 458.422102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC2=C(C=C1)C(=C(C=C2)OC)C(CC)(CC)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC2=C(C=C1)C(=C(C=C2)OC)C(CC)(CC)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C21H32O7P2/c1-6-20(7-2,29(22,23)24)16-11-12-17-15(14-16)10-13-18(28-5)19(17)21(8-3,9-4)30(25,26)27/h10-14H,6-9H2,1-5H3,(H2,22,23,24)(H2,25,26,27)