3-chloranyl-6-oxidanylidene-5-pentyl-cyclohexa-1,3-diene-1-sulfonic acid

Systemtic Name: 3-chloranyl-6-oxidanylidene-5-pentyl-cyclohexa-1,3-diene-1-sulfonic acid Openeye Name: 3-chloro-6-oxo-5-pentyl-cyclohexa-1,3-diene-1-sulfonic acid CAS Name: 3-chloro-6-oxo-5-pentyl-1-cyclohexa-1,3-dienesulfonic acid IUPAC Name: 3-chloro-6-oxo-5-pentylcyclohexa-1,3-diene-1-sulfonic acid Traditional Name: 5-amyl-3-chloro-6-keto-cyclohexa-1,3-diene-1-sulfonic acid Formula: C11H15ClO4S MolecularWeight: 278.7524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C=C(C=C(C1=O)S(=O)(=O)O)Cl

Isomeric SMILES

CCCCCC1C=C(C=C(C1=O)S(=O)(=O)O)Cl

InChI

InChI=1S/C11H15ClO4S/c1-2-3-4-5-8-6-9(12)7-10(11(8)13)17(14,15)16/h6-8H,2-5H2,1H3,(H,14,15,16)