3-[4-(2-oxidanyl-4-pyridin-3-yl-butoxy)phenyl]thiophene-2-sulfonic acid

Systemtic Name: 3-[4-(2-oxidanyl-4-pyridin-3-yl-butoxy)phenyl]thiophene-2-sulfonic acid Openeye Name: 3-[4-[2-hydroxy-4-(3-pyridyl)butoxy]phenyl]thiophene-2-sulfonic acid CAS Name: 3-[4-[2-hydroxy-4-(3-pyridinyl)butoxy]phenyl]-2-thiophenesulfonic acid IUPAC Name: 3-[4-(2-hydroxy-4-pyridin-3-ylbutoxy)phenyl]thiophene-2-sulfonic acid Traditional Name: 3-[4-[2-hydroxy-4-(3-pyridyl)butoxy]phenyl]thiophene-2-sulfonic acid Formula: C19H19NO5S2 MolecularWeight: 405.48786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCC(COC2=CC=C(C=C2)C3=C(SC=C3)S(=O)(=O)O)O

Isomeric SMILES

C1=CC(=CN=C1)CCC(COC2=CC=C(C=C2)C3=C(SC=C3)S(=O)(=O)O)O

InChI

InChI=1S/C19H19NO5S2/c21-16(6-3-14-2-1-10-20-12-14)13-25-17-7-4-15(5-8-17)18-9-11-26-19(18)27(22,23)24/h1-2,4-5,7-12,16,21H,3,6,13H2,(H,22,23,24)