3-(2-methyloctan-2-yl)cyclohexa-1,3-diene-1-sulfonic acid

Systemtic Name: 3-(2-methyloctan-2-yl)cyclohexa-1,3-diene-1-sulfonic acid Openeye Name: 3-(1,1-dimethylheptyl)cyclohexa-1,3-diene-1-sulfonic acid CAS Name: 3-(2-methyloctan-2-yl)-1-cyclohexa-1,3-dienesulfonic acid IUPAC Name: 3-(2-methyloctan-2-yl)cyclohexa-1,3-diene-1-sulfonic acid Traditional Name: 3-(1,1-dimethylheptyl)cyclohexa-1,3-diene-1-sulfonic acid Formula: C15H26O3S MolecularWeight: 286.43014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CCCC(=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCC(C)(C)C1=CCCC(=C1)S(=O)(=O)O

InChI

InChI=1S/C15H26O3S/c1-4-5-6-7-11-15(2,3)13-9-8-10-14(12-13)19(16,17)18/h9,12H,4-8,10-11H2,1-3H3,(H,16,17,18)