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3-(6-methoxy-3-methylsulfonyl-4-oxidanylidene-phthalazin-1-yl)propanoic acid

3-(6-methoxy-3-methylsulfonyl-4-oxidanylidene-phthalazin-1-yl)propanoic acid

Systemtic Name:3-(6-methoxy-3-methylsulfonyl-4-oxidanylidene-phthalazin-1-yl)propanoic acid
Openeye Name:3-(6-methoxy-3-methylsulfonyl-4-oxo-phthalazin-1-yl)propanoic acid
CAS Name:3-(6-methoxy-3-methylsulfonyl-4-oxo-1-phthalazinyl)propanoic acid
IUPAC Name:3-(6-methoxy-3-methylsulfonyl-4-oxophthalazin-1-yl)propanoic acid
Traditional Name:3-(4-keto-3-mesyl-6-methoxy-phthalazin-1-yl)propionic acid
Formula: C13H14N2O6S
MolecularWeight: 326.32506
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NN(C2=O)S(=O)(=O)C)CCC(=O)O


Isomeric SMILES

COC1=CC2=C(C=C1)C(=NN(C2=O)S(=O)(=O)C)CCC(=O)O


InChI

InChI=1S/C13H14N2O6S/c1-21-8-3-4-9-10(7-8)13(18)15(22(2,19)20)14-11(9)5-6-12(16)17/h3-4,7H,5-6H2,1-2H3,(H,16,17)


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