4-(2-methylprop-2-enyl)-6-oxidanylidene-cyclohexa-1,3-diene-1-sulfonic acid

Systemtic Name: 4-(2-methylprop-2-enyl)-6-oxidanylidene-cyclohexa-1,3-diene-1-sulfonic acid Openeye Name: 4-(2-methylallyl)-6-oxo-cyclohexa-1,3-diene-1-sulfonic acid CAS Name: 4-(2-methylprop-2-enyl)-6-oxo-1-cyclohexa-1,3-dienesulfonic acid IUPAC Name: 4-(2-methylprop-2-enyl)-6-oxocyclohexa-1,3-diene-1-sulfonic acid Traditional Name: 6-keto-4-(2-methylallyl)cyclohexa-1,3-diene-1-sulfonic acid Formula: C10H12O4S MolecularWeight: 228.26488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC1=CC=C(C(=O)C1)S(=O)(=O)O

Isomeric SMILES

CC(=C)CC1=CC=C(C(=O)C1)S(=O)(=O)O

InChI

InChI=1S/C10H12O4S/c1-7(2)5-8-3-4-10(9(11)6-8)15(12,13)14/h3-4H,1,5-6H2,2H3,(H,12,13,14)