isoquinoline; 2-oxidanylidene-2-(4-propylsulfonylphenoxy)ethanoate

Systemtic Name: isoquinoline; 2-oxidanylidene-2-(4-propylsulfonylphenoxy)ethanoate Openeye Name: isoquinoline; 2-oxo-2-(4-propylsulfonylphenoxy)acetate CAS Name: isoquinoline; 2-oxo-2-(4-propylsulfonylphenoxy)acetate IUPAC Name: isoquinoline; 2-oxo-2-(4-propylsulfonylphenoxy)acetate Traditional Name: isoquinoline; 2-keto-2-(4-propylsulfonylphenoxy)acetate Formula: C20H18NO6S- MolecularWeight: 400.42502

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=C(C=C1)OC(=O)C(=O)[O-].C1=CC=C2C=NC=CC2=C1

Isomeric SMILES

CCCS(=O)(=O)C1=CC=C(C=C1)OC(=O)C(=O)[O-].C1=CC=C2C=NC=CC2=C1

InChI

InChI=1S/C11H12O6S.C9H7N/c1-2-7-18(15,16)9-5-3-8(4-6-9)17-11(14)10(12)13;1-2-4-9-7-10-6-5-8(9)3-1/h3-6H,2,7H2,1H3,(H,12,13);1-7H/p-1