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

Systemtic Name: phosphono 4-[4-(4-propylphenoxy)phenyl]butane-1-sulfonate Openeye Name: phosphono 4-[4-(4-propylphenoxy)phenyl]butane-1-sulfonate CAS Name: 4-[4-(4-propylphenoxy)phenyl]-1-butanesulfonic acid IUPAC Name: phosphono 4-[4-(4-propylphenoxy)phenyl]butane-1-sulfonate Traditional Name: 4-[4-(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=C(C=C2)CCCCS(=O)(=O)OP(=O)(O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H25O7PS/c1-2-5-16-7-11-18(12-8-16)25-19-13-9-17(10-14-19)6-3-4-15-28(23,24)26-27(20,21)22/h7-14H,2-6,15H2,1H3,(H2,20,21,22)