phosphono 3-[4-(4-propylphenyl)phenyl]propane-1-sulfonate

Systemtic Name: phosphono 3-[4-(4-propylphenyl)phenyl]propane-1-sulfonate Openeye Name: phosphono 3-[4-(4-propylphenyl)phenyl]propane-1-sulfonate CAS Name: 3-[4-(4-propylphenyl)phenyl]-1-propanesulfonic acid IUPAC Name: phosphono 3-[4-(4-propylphenyl)phenyl]propane-1-sulfonate Traditional Name: 3-[4-(4-propylphenyl)phenyl]propane-1-sulfonic acid phosphono ester Formula: C18H23O6PS MolecularWeight: 398.410381

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)CCCS(=O)(=O)OP(=O)(O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)CCCS(=O)(=O)OP(=O)(O)O

InChI

InChI=1S/C18H23O6PS/c1-2-4-15-6-10-17(11-7-15)18-12-8-16(9-13-18)5-3-14-26(22,23)24-25(19,20)21/h6-13H,2-5,14H2,1H3,(H2,19,20,21)