2-[(2,5-dimethylphenyl)methyl]-5-methyl-benzenesulfinate

Systemtic Name: 2-[(2,5-dimethylphenyl)methyl]-5-methyl-benzenesulfinate Openeye Name: 2-[(2,5-dimethylphenyl)methyl]-5-methyl-benzenesulfinate CAS Name: 2-[(2,5-dimethylphenyl)methyl]-5-methylbenzenesulfinate IUPAC Name: 2-[(2,5-dimethylphenyl)methyl]-5-methylbenzenesulfinate Traditional Name: 2-(2,5-dimethylbenzyl)-5-methyl-benzenesulfinate Formula: C16H17O2S- MolecularWeight: 273.36998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC2=C(C=C(C=C2)C)S(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC2=C(C=C(C=C2)C)S(=O)[O-]

InChI

InChI=1S/C16H18O2S/c1-11-4-6-13(3)15(8-11)10-14-7-5-12(2)9-16(14)19(17)18/h4-9H,10H2,1-3H3,(H,17,18)/p-1