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1-diethoxyphosphoryl-4-(4-phenoxyphenyl)butane-1-sulfonic acid

1-diethoxyphosphoryl-4-(4-phenoxyphenyl)butane-1-sulfonic acid

Systemtic Name:1-diethoxyphosphoryl-4-(4-phenoxyphenyl)butane-1-sulfonic acid
Openeye Name:1-diethoxyphosphoryl-4-(4-phenoxyphenyl)butane-1-sulfonic acid
CAS Name:1-diethoxyphosphoryl-4-(4-phenoxyphenyl)-1-butanesulfonic acid
IUPAC Name:1-diethoxyphosphoryl-4-(4-phenoxyphenyl)butane-1-sulfonic acid
Traditional Name:1-diethoxyphosphoryl-4-(4-phenoxyphenyl)butane-1-sulfonic acid
Formula: C20H27O7PS
MolecularWeight: 442.462941
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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CCCC1=CC=C(C=C1)OC2=CC=CC=C2)S(=O)(=O)O)OCC


Isomeric SMILES

CCOP(=O)(C(CCCC1=CC=C(C=C1)OC2=CC=CC=C2)S(=O)(=O)O)OCC


InChI

InChI=1S/C20H27O7PS/c1-3-25-28(21,26-4-2)20(29(22,23)24)12-8-9-17-13-15-19(16-14-17)27-18-10-6-5-7-11-18/h5-7,10-11,13-16,20H,3-4,8-9,12H2,1-2H3,(H,22,23,24)


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