phosphono 4-(3-pyridin-2-yloxyphenyl)butane-1-sulfonate

Systemtic Name: phosphono 4-(3-pyridin-2-yloxyphenyl)butane-1-sulfonate Openeye Name: phosphono 4-[3-(2-pyridyloxy)phenyl]butane-1-sulfonate CAS Name: 4-[3-(2-pyridinyloxy)phenyl]-1-butanesulfonic acid IUPAC Name: phosphono 4-(3-pyridin-2-yloxyphenyl)butane-1-sulfonate Traditional Name: 4-[3-(2-pyridyloxy)phenyl]butane-1-sulfonic acid phosphono ester Formula: C15H18NO7PS MolecularWeight: 387.344681

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)OC2=CC=CC(=C2)CCCCS(=O)(=O)OP(=O)(O)O

Isomeric SMILES

C1=CC=NC(=C1)OC2=CC=CC(=C2)CCCCS(=O)(=O)OP(=O)(O)O

InChI

InChI=1S/C15H18NO7PS/c17-24(18,19)23-25(20,21)11-4-2-6-13-7-5-8-14(12-13)22-15-9-1-3-10-16-15/h1,3,5,7-10,12H,2,4,6,11H2,(H2,17,18,19)