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4-[4-(4-pentylphenyl)phenyl]-1-phosphono-butane-1-sulfonic acid

4-[4-(4-pentylphenyl)phenyl]-1-phosphono-butane-1-sulfonic acid

Systemtic Name:4-[4-(4-pentylphenyl)phenyl]-1-phosphono-butane-1-sulfonic acid
Openeye Name:4-[4-(4-pentylphenyl)phenyl]-1-phosphono-butane-1-sulfonic acid
CAS Name:4-[4-(4-pentylphenyl)phenyl]-1-phosphono-1-butanesulfonic acid
IUPAC Name:4-[4-(4-pentylphenyl)phenyl]-1-phosphonobutane-1-sulfonic acid
Traditional Name:4-[4-(4-amylphenyl)phenyl]-1-phosphono-butane-1-sulfonic acid
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)CCCC(P(=O)(O)O)S(=O)(=O)O


Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CCCC(P(=O)(O)O)S(=O)(=O)O


InChI

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


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