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phosphono 4-[3-(2-propylphenoxy)phenyl]butane-1-sulfonate

phosphono 4-[3-(2-propylphenoxy)phenyl]butane-1-sulfonate

Systemtic Name:phosphono 4-[3-(2-propylphenoxy)phenyl]butane-1-sulfonate
Openeye Name:phosphono 4-[3-(2-propylphenoxy)phenyl]butane-1-sulfonate
CAS Name:4-[3-(2-propylphenoxy)phenyl]-1-butanesulfonic acid
IUPAC Name:phosphono 4-[3-(2-propylphenoxy)phenyl]butane-1-sulfonate
Traditional Name:4-[3-(2-propylphenoxy)phenyl]butane-1-sulfonic acid phosphono ester
Formula: C19H25O7PS
MolecularWeight: 428.436361
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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1OC2=CC=CC(=C2)CCCCS(=O)(=O)OP(=O)(O)O


Isomeric SMILES

CCCC1=CC=CC=C1OC2=CC=CC(=C2)CCCCS(=O)(=O)OP(=O)(O)O


InChI

InChI=1S/C19H25O7PS/c1-2-8-17-11-3-4-13-19(17)25-18-12-7-10-16(15-18)9-5-6-14-28(23,24)26-27(20,21)22/h3-4,7,10-13,15H,2,5-6,8-9,14H2,1H3,(H2,20,21,22)


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