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

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

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

Canonical SMILES:

C1=CC=C(C=C1)CCCC2=CC=C(C=C2)CCCC(P(=O)(O)O)S(=O)(=O)O


Isomeric SMILES

C1=CC=C(C=C1)CCCC2=CC=C(C=C2)CCCC(P(=O)(O)O)S(=O)(=O)O


InChI

InChI=1S/C19H25O6PS/c20-26(21,22)19(27(23,24)25)11-5-10-18-14-12-17(13-15-18)9-4-8-16-6-2-1-3-7-16/h1-3,6-7,12-15,19H,4-5,8-11H2,(H2,20,21,22)(H,23,24,25)


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