Compound C15H15NO8S

4-(4-hydroxy-3-sulfophenoxy)-4-oxobutanoic acid;pyridine

CAS: 59687-27-3

Molecular Formula	`C15H15NO8S`
Molecular Weight	369.3 g/mol
Topological Polar Surface Area	159.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	9
Rotatable Bonds	6
Exact Mass	369.05185
Heavy Atoms	25
Complexity	468.0

Chemical Identifiers

CAS Number	59687-27-3
SMILES	`C1=CC=NC=C1.C1=CC(=C(C=C1OC(=O)CCC(=O)O)S(=O)(=O)O)O`
InChIKey	`XXZIHIMQWQTWMV-UHFFFAOYSA-N`

📖 Product Overview

Compound C15H15NO8S (CAS: 59687-27-3) is a chemical compound with molecular formula C15H15NO8S and molecular weight 369.3 g/mol. Its IUPAC systematic name is 4-(4-hydroxy-3-sulfophenoxy)-4-oxobutanoic acid;pyridine. Topological Polar Surface Area 159.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 9 Rotatable Bonds 6 Exact Mass 369.05185 Heavy Atoms 25 Complexity 468.0 InChI Key: XXZIHIMQWQTWMV-UHFFFAOYSA-N. SMILES: C1=CC=NC=C1.C1=CC(=C(C=C1OC(=O)CCC(=O)O)S(=O)(=O)O)O.

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