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

Systemtic Name: 1-diethoxyphosphoryl-4-[3-(2-phenoxyphenoxy)phenyl]butane-1-sulfonic acid Openeye Name: 1-diethoxyphosphoryl-4-[3-(2-phenoxyphenoxy)phenyl]butane-1-sulfonic acid CAS Name: 1-diethoxyphosphoryl-4-[3-(2-phenoxyphenoxy)phenyl]-1-butanesulfonic acid IUPAC Name: 1-diethoxyphosphoryl-4-[3-(2-phenoxyphenoxy)phenyl]butane-1-sulfonic acid Traditional Name: 1-diethoxyphosphoryl-4-[3-(2-phenoxyphenoxy)phenyl]butane-1-sulfonic acid Formula: C26H31O8PS MolecularWeight: 534.558301

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC=CC=C2OC3=CC=CC=C3)S(=O)(=O)O)OCC

Isomeric SMILES

CCOP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC=CC=C2OC3=CC=CC=C3)S(=O)(=O)O)OCC

InChI

InChI=1S/C26H31O8PS/c1-3-31-35(27,32-4-2)26(36(28,29)30)19-11-13-21-12-10-16-23(20-21)34-25-18-9-8-17-24(25)33-22-14-6-5-7-15-22/h5-10,12,14-18,20,26H,3-4,11,13,19H2,1-2H3,(H,28,29,30)