3-[1-(3-ethyl-2-oxidanyl-phenyl)-3-methyl-butan-2-yl]sulfanylpropane-1,2-diol

Systemtic Name: 3-[1-(3-ethyl-2-oxidanyl-phenyl)-3-methyl-butan-2-yl]sulfanylpropane-1,2-diol Openeye Name: 3-[1-[(3-ethyl-2-hydroxy-phenyl)methyl]-2-methyl-propyl]sulfanylpropane-1,2-diol CAS Name: 3-[[1-(3-ethyl-2-hydroxyphenyl)-3-methylbutan-2-yl]thio]propane-1,2-diol IUPAC Name: 3-[1-(3-ethyl-2-hydroxyphenyl)-3-methylbutan-2-yl]sulfanylpropane-1,2-diol Traditional Name: 3-[[1-(3-ethyl-2-hydroxy-benzyl)-2-methyl-propyl]thio]propane-1,2-diol Formula: C16H26O3S MolecularWeight: 298.44084

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC(C(C)C)SCC(CO)O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC(C(C)C)SCC(CO)O)O

InChI

InChI=1S/C16H26O3S/c1-4-12-6-5-7-13(16(12)19)8-15(11(2)3)20-10-14(18)9-17/h5-7,11,14-15,17-19H,4,8-10H2,1-3H3