4-oxidanylidene-4-(4-oxidanyl-3-sulfo-phenoxy)butanoic acid; pyridine

Systemtic Name: 4-oxidanylidene-4-(4-oxidanyl-3-sulfo-phenoxy)butanoic acid; pyridine Openeye Name: 4-(4-hydroxy-3-sulfo-phenoxy)-4-oxo-butanoic acid; pyridine CAS Name: 4-(4-hydroxy-3-sulfophenoxy)-4-oxobutanoic acid; pyridine IUPAC Name: 4-(4-hydroxy-3-sulfophenoxy)-4-oxobutanoic acid; pyridine Traditional Name: 4-(4-hydroxy-3-sulfo-phenoxy)-4-keto-butyric acid; pyridine Formula: C15H15NO8S MolecularWeight: 369.3465

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC=C1.C1=CC(=C(C=C1OC(=O)CCC(=O)O)S(=O)(=O)O)O

Isomeric SMILES

C1=CC=NC=C1.C1=CC(=C(C=C1OC(=O)CCC(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C10H10O8S.C5H5N/c11-7-2-1-6(5-8(7)19(15,16)17)18-10(14)4-3-9(12)13;1-2-4-6-5-3-1/h1-2,5,11H,3-4H2,(H,12,13)(H,15,16,17);1-5H