3-(5-pyrrol-1-yl-1,3-benzoxazol-2-yl)propane-1-sulfonic acid

Systemtic Name: 3-(5-pyrrol-1-yl-1,3-benzoxazol-2-yl)propane-1-sulfonic acid Openeye Name: 3-(5-pyrrol-1-yl-1,3-benzoxazol-2-yl)propane-1-sulfonic acid CAS Name: 3-[5-(1-pyrrolyl)-1,3-benzoxazol-2-yl]-1-propanesulfonic acid IUPAC Name: 3-(5-pyrrol-1-yl-1,3-benzoxazol-2-yl)propane-1-sulfonic acid Traditional Name: 3-(5-pyrrol-1-yl-1,3-benzoxazol-2-yl)propane-1-sulfonic acid Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC3=C(C=C2)OC(=N3)CCCS(=O)(=O)O

Isomeric SMILES

C1=CN(C=C1)C2=CC3=C(C=C2)OC(=N3)CCCS(=O)(=O)O

InChI

InChI=1S/C14H14N2O4S/c17-21(18,19)9-3-4-14-15-12-10-11(5-6-13(12)20-14)16-7-1-2-8-16/h1-2,5-8,10H,3-4,9H2,(H,17,18,19)