2-butoxy-3-(2-methylheptan-2-yl)benzenesulfinate

Systemtic Name: 2-butoxy-3-(2-methylheptan-2-yl)benzenesulfinate Openeye Name: 2-butoxy-3-(1,1-dimethylhexyl)benzenesulfinate CAS Name: 2-butoxy-3-(2-methylheptan-2-yl)benzenesulfinate IUPAC Name: 2-butoxy-3-(2-methylheptan-2-yl)benzenesulfinate Traditional Name: 2-butoxy-3-(1,1-dimethylhexyl)benzenesulfinate Formula: C18H29O3S- MolecularWeight: 325.48606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=C(C(=CC=C1)S(=O)[O-])OCCCC

Isomeric SMILES

CCCCCC(C)(C)C1=C(C(=CC=C1)S(=O)[O-])OCCCC

InChI

InChI=1S/C18H30O3S/c1-5-7-9-13-18(3,4)15-11-10-12-16(22(19)20)17(15)21-14-8-6-2/h10-12H,5-9,13-14H2,1-4H3,(H,19,20)/p-1