[1-(4-oxidanylphenoxy)-4-(4-phenoxyphenyl)-1-phosphono-butyl]phosphonic acid

Systemtic Name: [1-(4-oxidanylphenoxy)-4-(4-phenoxyphenyl)-1-phosphono-butyl]phosphonic acid Openeye Name: [1-(4-hydroxyphenoxy)-4-(4-phenoxyphenyl)-1-phosphono-butyl]phosphonic acid CAS Name: [1-(4-hydroxyphenoxy)-4-(4-phenoxyphenyl)-1-phosphonobutyl]phosphonic acid IUPAC Name: [1-(4-hydroxyphenoxy)-4-(4-phenoxyphenyl)-1-phosphonobutyl]phosphonic acid Traditional Name: [1-(4-hydroxyphenoxy)-4-(4-phenoxyphenyl)-1-phosphono-butyl]phosphonic acid Formula: C22H24O9P2 MolecularWeight: 494.368082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)CCCC(OC3=CC=C(C=C3)O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)CCCC(OC3=CC=C(C=C3)O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C22H24O9P2/c23-18-10-14-21(15-11-18)31-22(32(24,25)26,33(27,28)29)16-4-5-17-8-12-20(13-9-17)30-19-6-2-1-3-7-19/h1-3,6-15,23H,4-5,16H2,(H2,24,25,26)(H2,27,28,29)