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

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

Systemtic Name:phosphono 4-[4-(3-propylphenyl)phenyl]butane-1-sulfonate
Openeye Name:phosphono 4-[4-(3-propylphenyl)phenyl]butane-1-sulfonate
CAS Name:4-[4-(3-propylphenyl)phenyl]-1-butanesulfonic acid
IUPAC Name:phosphono 4-[4-(3-propylphenyl)phenyl]butane-1-sulfonate
Traditional Name:4-[4-(3-propylphenyl)phenyl]butane-1-sulfonic acid phosphono ester
Formula: C19H25O6PS
MolecularWeight: 412.436961
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C19H25O6PS/c1-2-6-17-8-5-9-19(15-17)18-12-10-16(11-13-18)7-3-4-14-27(23,24)25-26(20,21)22/h5,8-13,15H,2-4,6-7,14H2,1H3,(H2,20,21,22)


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