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4-[3-(2-butylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid

4-[3-(2-butylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid

Systemtic Name:4-[3-(2-butylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid
Openeye Name:4-[3-(2-butylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid
CAS Name:4-[3-(2-butylphenoxy)phenyl]-1-phosphono-1-butanesulfonic acid
IUPAC Name:4-[3-(2-butylphenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid
Traditional Name:4-[3-(2-butylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid
Formula: C20H27O7PS
MolecularWeight: 442.462941
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1OC2=CC=CC(=C2)CCCC(P(=O)(O)O)S(=O)(=O)O


Isomeric SMILES

CCCCC1=CC=CC=C1OC2=CC=CC(=C2)CCCC(P(=O)(O)O)S(=O)(=O)O


InChI

InChI=1S/C20H27O7PS/c1-2-3-10-17-11-4-5-13-19(17)27-18-12-6-8-16(15-18)9-7-14-20(28(21,22)23)29(24,25)26/h4-6,8,11-13,15,20H,2-3,7,9-10,14H2,1H3,(H2,21,22,23)(H,24,25,26)


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