5-[2-(oxan-4-yl)ethyl]-6-oxidanylidene-cyclohexa-1,3-diene-1-sulfonate

Systemtic Name: 5-[2-(oxan-4-yl)ethyl]-6-oxidanylidene-cyclohexa-1,3-diene-1-sulfonate Openeye Name: 6-oxo-5-(2-tetrahydropyran-4-ylethyl)cyclohexa-1,3-diene-1-sulfonate CAS Name: 5-[2-(4-oxanyl)ethyl]-6-oxo-1-cyclohexa-1,3-dienesulfonate IUPAC Name: 5-[2-(oxan-4-yl)ethyl]-6-oxocyclohexa-1,3-diene-1-sulfonate Traditional Name: 6-keto-5-(2-tetrahydropyran-4-ylethyl)cyclohexa-1,3-diene-1-sulfonate Formula: C13H17O5S- MolecularWeight: 285.33608

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CCC2C=CC=C(C2=O)S(=O)(=O)[O-]

Isomeric SMILES

C1COCCC1CCC2C=CC=C(C2=O)S(=O)(=O)[O-]

InChI

InChI=1S/C13H18O5S/c14-13-11(2-1-3-12(13)19(15,16)17)5-4-10-6-8-18-9-7-10/h1-3,10-11H,4-9H2,(H,15,16,17)/p-1