2-butoxy-3-(2-methylheptan-2-yl)benzenesulfinic acid

Systemtic Name: 2-butoxy-3-(2-methylheptan-2-yl)benzenesulfinic acid Openeye Name: 2-butoxy-3-(1,1-dimethylhexyl)benzenesulfinic acid CAS Name: 2-butoxy-3-(2-methylheptan-2-yl)benzenesulfinic acid IUPAC Name: 2-butoxy-3-(2-methylheptan-2-yl)benzenesulfinic acid Traditional Name: 2-butoxy-3-(1,1-dimethylhexyl)benzenesulfinic acid Formula: C18H30O3S MolecularWeight: 326.494

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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)