2,7,7-trimethyl-5-phenylmethoxy-4-sulfanyl-3-oxabicyclo[4.1.0]heptane-1,6-diol

Systemtic Name: 2,7,7-trimethyl-5-phenylmethoxy-4-sulfanyl-3-oxabicyclo[4.1.0]heptane-1,6-diol Openeye Name: 5-benzyloxy-2,7,7-trimethyl-4-sulfanyl-3-oxabicyclo[4.1.0]heptane-1,6-diol CAS Name: 4-mercapto-2,7,7-trimethyl-5-phenylmethoxy-3-oxabicyclo[4.1.0]heptane-1,6-diol IUPAC Name: 2,7,7-trimethyl-5-phenylmethoxy-4-sulfanyl-3-oxabicyclo[4.1.0]heptane-1,6-diol Traditional Name: 5-benzoxy-4-mercapto-2,7,7-trimethyl-3-oxabicyclo[4.1.0]heptane-1,6-diol Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2(C(C2(C(C(O1)S)OCC3=CC=CC=C3)O)(C)C)O

Isomeric SMILES

CC1C2(C(C2(C(C(O1)S)OCC3=CC=CC=C3)O)(C)C)O

InChI

InChI=1S/C16H22O4S/c1-10-15(17)14(2,3)16(15,18)12(13(21)20-10)19-9-11-7-5-4-6-8-11/h4-8,10,12-13,17-18,21H,9H2,1-3H3