5-(2-methylheptan-2-yl)-2-octan-2-yloxy-benzenesulfinate

Systemtic Name: 5-(2-methylheptan-2-yl)-2-octan-2-yloxy-benzenesulfinate Openeye Name: 5-(1,1-dimethylhexyl)-2-(1-methylheptoxy)benzenesulfinate CAS Name: 5-(2-methylheptan-2-yl)-2-octan-2-yloxybenzenesulfinate IUPAC Name: 5-(2-methylheptan-2-yl)-2-octan-2-yloxybenzenesulfinate Traditional Name: 5-(1,1-dimethylhexyl)-2-(1-methylheptoxy)benzenesulfinate Formula: C22H37O3S- MolecularWeight: 381.59238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C=C1)C(C)(C)CCCCC)S(=O)[O-]

Isomeric SMILES

CCCCCCC(C)OC1=C(C=C(C=C1)C(C)(C)CCCCC)S(=O)[O-]

InChI

InChI=1S/C22H38O3S/c1-6-8-10-11-13-18(3)25-20-15-14-19(17-21(20)26(23)24)22(4,5)16-12-9-7-2/h14-15,17-18H,6-13,16H2,1-5H3,(H,23,24)/p-1