2-methyl-6-oxidanylidene-6-phenyl-hexane-3-sulfonic acid

Systemtic Name: 2-methyl-6-oxidanylidene-6-phenyl-hexane-3-sulfonic acid Openeye Name: 2-methyl-6-oxo-6-phenyl-hexane-3-sulfonic acid CAS Name: 2-methyl-6-oxo-6-phenyl-3-hexanesulfonic acid IUPAC Name: 2-methyl-6-oxo-6-phenylhexane-3-sulfonic acid Traditional Name: 6-keto-2-methyl-6-phenyl-hexane-3-sulfonic acid Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4S/c1-10(2)13(18(15,16)17)9-8-12(14)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,15,16,17)