5-nonyl-6-oxidanylidene-cyclohexa-1,3-diene-1-sulfonic acid

Systemtic Name: 5-nonyl-6-oxidanylidene-cyclohexa-1,3-diene-1-sulfonic acid Openeye Name: 5-nonyl-6-oxo-cyclohexa-1,3-diene-1-sulfonic acid CAS Name: 5-nonyl-6-oxo-1-cyclohexa-1,3-dienesulfonic acid IUPAC Name: 5-nonyl-6-oxocyclohexa-1,3-diene-1-sulfonic acid Traditional Name: 6-keto-5-nonyl-cyclohexa-1,3-diene-1-sulfonic acid Formula: C15H24O4S MolecularWeight: 300.41366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1C=CC=C(C1=O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC1C=CC=C(C1=O)S(=O)(=O)O

InChI

InChI=1S/C15H24O4S/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(15(13)16)20(17,18)19/h9,11-13H,2-8,10H2,1H3,(H,17,18,19)