phosphono 5-[4-(4-propylphenyl)phenyl]pentane-1-sulfonate

Systemtic Name: phosphono 5-[4-(4-propylphenyl)phenyl]pentane-1-sulfonate Openeye Name: phosphono 5-[4-(4-propylphenyl)phenyl]pentane-1-sulfonate CAS Name: 5-[4-(4-propylphenyl)phenyl]-1-pentanesulfonic acid IUPAC Name: phosphono 5-[4-(4-propylphenyl)phenyl]pentane-1-sulfonate Traditional Name: 5-[4-(4-propylphenyl)phenyl]pentane-1-sulfonic acid phosphono ester Formula: C20H27O6PS MolecularWeight: 426.463541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27O6PS/c1-2-6-17-8-12-19(13-9-17)20-14-10-18(11-15-20)7-4-3-5-16-28(24,25)26-27(21,22)23/h8-15H,2-7,16H2,1H3,(H2,21,22,23)