diethyl sulfate; isoquinoline

Systemtic Name: diethyl sulfate; isoquinoline Openeye Name: diethyl sulfate; isoquinoline CAS Name: isoquinoline; sulfuric acid diethyl ester IUPAC Name: diethyl sulfate; isoquinoline Traditional Name: isoquinoline; sulfuric acid diethyl ester Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)OCC.C1=CC=C2C=NC=CC2=C1

Isomeric SMILES

CCOS(=O)(=O)OCC.C1=CC=C2C=NC=CC2=C1

InChI

InChI=1S/C9H7N.C4H10O4S/c1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-9(5,6)8-4-2/h1-7H;3-4H2,1-2H3