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

Systemtic Name: phosphono 4-[4-(4-pentylphenyl)phenyl]butane-1-sulfonate Openeye Name: phosphono 4-[4-(4-pentylphenyl)phenyl]butane-1-sulfonate CAS Name: 4-[4-(4-pentylphenyl)phenyl]-1-butanesulfonic acid IUPAC Name: phosphono 4-[4-(4-pentylphenyl)phenyl]butane-1-sulfonate Traditional Name: 4-[4-(4-amylphenyl)phenyl]butane-1-sulfonic acid phosphono ester Formula: C21H29O6PS MolecularWeight: 440.490121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CCCCS(=O)(=O)OP(=O)(O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CCCCS(=O)(=O)OP(=O)(O)O

InChI

InChI=1S/C21H29O6PS/c1-2-3-4-7-18-9-13-20(14-10-18)21-15-11-19(12-16-21)8-5-6-17-29(25,26)27-28(22,23)24/h9-16H,2-8,17H2,1H3,(H2,22,23,24)