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

Systemtic Name: 1-phosphono-5-[4-(4-propylphenyl)phenyl]pentane-1-sulfonic acid Openeye Name: 1-phosphono-5-[4-(4-propylphenyl)phenyl]pentane-1-sulfonic acid CAS Name: 1-phosphono-5-[4-(4-propylphenyl)phenyl]-1-pentanesulfonic acid IUPAC Name: 1-phosphono-5-[4-(4-propylphenyl)phenyl]pentane-1-sulfonic acid Traditional Name: 1-phosphono-5-[4-(4-propylphenyl)phenyl]pentane-1-sulfonic acid 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)CCCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)CCCCC(P(=O)(O)O)S(=O)(=O)O

InChI

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