4-(3-methylbutylsulfanylmethyl)benzene-1,2-diol

Systemtic Name: 4-(3-methylbutylsulfanylmethyl)benzene-1,2-diol Openeye Name: 4-(isopentylsulfanylmethyl)benzene-1,2-diol CAS Name: 4-[(3-methylbutylthio)methyl]benzene-1,2-diol IUPAC Name: 4-(3-methylbutylsulfanylmethyl)benzene-1,2-diol Traditional Name: 4-[(isoamylthio)methyl]pyrocatechol Formula: C12H18O2S MolecularWeight: 226.33512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSCC1=CC(=C(C=C1)O)O

Isomeric SMILES

CC(C)CCSCC1=CC(=C(C=C1)O)O

InChI

InChI=1S/C12H18O2S/c1-9(2)5-6-15-8-10-3-4-11(13)12(14)7-10/h3-4,7,9,13-14H,5-6,8H2,1-2H3