2-octoxy-5-(2,4,4-trimethylpentan-2-yl)benzenesulfinate

Systemtic Name: 2-octoxy-5-(2,4,4-trimethylpentan-2-yl)benzenesulfinate Openeye Name: 2-octoxy-5-(1,1,3,3-tetramethylbutyl)benzenesulfinate CAS Name: 2-octoxy-5-(2,4,4-trimethylpentan-2-yl)benzenesulfinate IUPAC Name: 2-octoxy-5-(2,4,4-trimethylpentan-2-yl)benzenesulfinate Traditional Name: 2-octoxy-5-(1,1,3,3-tetramethylbutyl)benzenesulfinate Formula: C22H37O3S- MolecularWeight: 381.59238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)S(=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)S(=O)[O-]

InChI

InChI=1S/C22H38O3S/c1-7-8-9-10-11-12-15-25-19-14-13-18(16-20(19)26(23)24)22(5,6)17-21(2,3)4/h13-14,16H,7-12,15,17H2,1-6H3,(H,23,24)/p-1