phosphono 4-[3-(4-propylphenoxy)phenyl]butane-1-sulfonate

Systemtic Name: phosphono 4-[3-(4-propylphenoxy)phenyl]butane-1-sulfonate Openeye Name: phosphono 4-[3-(4-propylphenoxy)phenyl]butane-1-sulfonate CAS Name: 4-[3-(4-propylphenoxy)phenyl]-1-butanesulfonic acid IUPAC Name: phosphono 4-[3-(4-propylphenoxy)phenyl]butane-1-sulfonate Traditional Name: 4-[3-(4-propylphenoxy)phenyl]butane-1-sulfonic acid phosphono ester Formula: C19H25O7PS MolecularWeight: 428.436361

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OC2=CC=CC(=C2)CCCCS(=O)(=O)OP(=O)(O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)OC2=CC=CC(=C2)CCCCS(=O)(=O)OP(=O)(O)O

InChI

InChI=1S/C19H25O7PS/c1-2-6-16-10-12-18(13-11-16)25-19-9-5-8-17(15-19)7-3-4-14-28(23,24)26-27(20,21)22/h5,8-13,15H,2-4,6-7,14H2,1H3,(H2,20,21,22)