3-[2-(2-ethylhexoxy)-5-methoxy-4-(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[2-(2-ethylhexoxy)-5-methoxy-4-(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid Openeye Name: [1-ethyl-1-[2-(2-ethylhexoxy)-4-(1-ethyl-1-phosphono-propyl)-5-methoxy-phenyl]propyl]phosphonic acid CAS Name: 3-[2-(2-ethylhexoxy)-5-methoxy-4-(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[2-(2-ethylhexoxy)-5-methoxy-4-(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid Traditional Name: [1-ethyl-1-[2-(2-ethylhexoxy)-4-(1-ethyl-1-phosphono-propyl)-5-methoxy-phenyl]propyl]phosphonic acid Formula: C25H46O8P2 MolecularWeight: 536.575462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC1=CC(=C(C=C1C(CC)(CC)P(=O)(O)O)OC)C(CC)(CC)P(=O)(O)O

Isomeric SMILES

CCCCC(CC)COC1=CC(=C(C=C1C(CC)(CC)P(=O)(O)O)OC)C(CC)(CC)P(=O)(O)O

InChI

InChI=1S/C25H46O8P2/c1-8-14-15-19(9-2)18-33-23-17-20(24(10-3,11-4)34(26,27)28)22(32-7)16-21(23)25(12-5,13-6)35(29,30)31/h16-17,19H,8-15,18H2,1-7H3,(H2,26,27,28)(H2,29,30,31)