2-(2-dimethylaminoethyl)-5-heptylsulfanyl-benzene-1,4-diol

Systemtic Name: 2-(2-dimethylaminoethyl)-5-heptylsulfanyl-benzene-1,4-diol Openeye Name: 2-(2-dimethylaminoethyl)-5-heptylsulfanyl-benzene-1,4-diol CAS Name: 2-(2-dimethylaminoethyl)-5-(heptylthio)benzene-1,4-diol IUPAC Name: 2-(2-dimethylaminoethyl)-5-heptylsulfanylbenzene-1,4-diol Traditional Name: 2-(2-dimethylaminoethyl)-5-(heptylthio)hydroquinone Formula: C17H29NO2S MolecularWeight: 311.48266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=C(C=C(C(=C1)O)CCN(C)C)O

Isomeric SMILES

CCCCCCCSC1=C(C=C(C(=C1)O)CCN(C)C)O

InChI

InChI=1S/C17H29NO2S/c1-4-5-6-7-8-11-21-17-13-15(19)14(12-16(17)20)9-10-18(2)3/h12-13,19-20H,4-11H2,1-3H3