2,2-dimethylpropyl 5-methylnaphthalene-2-sulfonate

Systemtic Name: 2,2-dimethylpropyl 5-methylnaphthalene-2-sulfonate Openeye Name: 2,2-dimethylpropyl 5-methylnaphthalene-2-sulfonate CAS Name: 5-methyl-2-naphthalenesulfonic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 5-methylnaphthalene-2-sulfonate Traditional Name: 5-methylnaphthalene-2-sulfonic acid neopentyl ester Formula: C16H20O3S MolecularWeight: 292.3932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=CC(=C2)S(=O)(=O)OCC(C)(C)C

Isomeric SMILES

CC1=CC=CC2=C1C=CC(=C2)S(=O)(=O)OCC(C)(C)C

InChI

InChI=1S/C16H20O3S/c1-12-6-5-7-13-10-14(8-9-15(12)13)20(17,18)19-11-16(2,3)4/h5-10H,11H2,1-4H3