2-[1-(dimethylamino)-3-methyl-butan-2-yl]-5-heptylsulfanyl-benzene-1,4-diol

Systemtic Name: 2-[1-(dimethylamino)-3-methyl-butan-2-yl]-5-heptylsulfanyl-benzene-1,4-diol Openeye Name: 2-[1-(dimethylaminomethyl)-2-methyl-propyl]-5-heptylsulfanyl-benzene-1,4-diol CAS Name: 2-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(heptylthio)benzene-1,4-diol IUPAC Name: 2-[1-(dimethylamino)-3-methylbutan-2-yl]-5-heptylsulfanylbenzene-1,4-diol Traditional Name: 2-[1-(dimethylaminomethyl)-2-methyl-propyl]-5-(heptylthio)hydroquinone Formula: C20H35NO2S MolecularWeight: 353.5624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=C(C=C(C(=C1)O)C(CN(C)C)C(C)C)O

Isomeric SMILES

CCCCCCCSC1=C(C=C(C(=C1)O)C(CN(C)C)C(C)C)O

InChI

InChI=1S/C20H35NO2S/c1-6-7-8-9-10-11-24-20-13-18(22)16(12-19(20)23)17(15(2)3)14-21(4)5/h12-13,15,17,22-23H,6-11,14H2,1-5H3