4-methylcyclohexa-2,4-diene-1-sulfonate

Systemtic Name: 4-methylcyclohexa-2,4-diene-1-sulfonate Openeye Name: 4-methylcyclohexa-2,4-diene-1-sulfonate CAS Name: 4-methyl-1-cyclohexa-2,4-dienesulfonate IUPAC Name: 4-methylcyclohexa-2,4-diene-1-sulfonate Traditional Name: 4-methylcyclohexa-2,4-diene-1-sulfonate Formula: C7H9O3S- MolecularWeight: 173.20956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CCC(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C7H10O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-4,7H,5H2,1H3,(H,8,9,10)/p-1