5,5-dimethyl-6-oxidanylidene-4-pentyl-cyclohexa-1,3-diene-1-sulfonate

Systemtic Name: 5,5-dimethyl-6-oxidanylidene-4-pentyl-cyclohexa-1,3-diene-1-sulfonate Openeye Name: 5,5-dimethyl-6-oxo-4-pentyl-cyclohexa-1,3-diene-1-sulfonate CAS Name: 5,5-dimethyl-6-oxo-4-pentyl-1-cyclohexa-1,3-dienesulfonate IUPAC Name: 5,5-dimethyl-6-oxo-4-pentylcyclohexa-1,3-diene-1-sulfonate Traditional Name: 4-amyl-6-keto-5,5-dimethyl-cyclohexa-1,3-diene-1-sulfonate Formula: C13H19O4S- MolecularWeight: 271.35256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C(=O)C1(C)C)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCC1=CC=C(C(=O)C1(C)C)S(=O)(=O)[O-]

InChI

InChI=1S/C13H20O4S/c1-4-5-6-7-10-8-9-11(18(15,16)17)12(14)13(10,2)3/h8-9H,4-7H2,1-3H3,(H,15,16,17)/p-1