4-[3-(2-phenoxyphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid

Systemtic Name: 4-[3-(2-phenoxyphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid Openeye Name: 4-[3-(2-phenoxyphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid CAS Name: 4-[3-(2-phenoxyphenoxy)phenyl]-1-phosphono-1-butanesulfonic acid IUPAC Name: 4-[3-(2-phenoxyphenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid Traditional Name: 4-[3-(2-phenoxyphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid Formula: C22H23O8PS MolecularWeight: 478.451981

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC=C2OC3=CC=CC(=C3)CCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2OC3=CC=CC(=C3)CCCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C22H23O8PS/c23-31(24,25)22(32(26,27)28)15-7-9-17-8-6-12-19(16-17)30-21-14-5-4-13-20(21)29-18-10-2-1-3-11-18/h1-6,8,10-14,16,22H,7,9,15H2,(H2,23,24,25)(H,26,27,28)