1-phosphono-4-(3-pyridin-2-yloxyphenyl)butane-1-sulfonic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)OC2=CC=CC(=C2)CCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=NC(=C1)OC2=CC=CC(=C2)CCCC(P(=O)(O)O)S(=O)(=O)O

InChI

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