(1R,3aR,6aR)-5-ethylsulfanyloxy-2,2,6-trimethyl-1-phenylmethoxy-3,3a,4,6a-tetrahydro-1H-pentalene

Systemtic Name: (1R,3aR,6aR)-5-ethylsulfanyloxy-2,2,6-trimethyl-1-phenylmethoxy-3,3a,4,6a-tetrahydro-1H-pentalene Openeye Name: (1R,3aR,6aR)-1-benzyloxy-5-ethylsulfanyloxy-2,2,6-trimethyl-3,3a,4,6a-tetrahydro-1H-pentalene CAS Name: ethanesulfenic acid [(3aR,4R,6aR)-3,5,5-trimethyl-4-phenylmethoxy-3a,4,6,6a-tetrahydro-1H-pentalen-2-yl] ester IUPAC Name: (1R,3aR,6aR)-5-ethylsulfanyloxy-2,2,6-trimethyl-1-phenylmethoxy-3,3a,4,6a-tetrahydro-1H-pentalene Traditional Name: (1R,3aR,6aR)-1-benzoxy-5-(ethylthio)oxy-2,2,6-trimethyl-3,3a,4,6a-tetrahydro-1H-pentalene Formula: C20H28O2S MolecularWeight: 332.50012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSOC1=C(C2C(C1)CC(C2OCC3=CC=CC=C3)(C)C)C

Isomeric SMILES

CCSOC1=C([C@H]2[C@@H](C1)CC([C@@H]2OCC3=CC=CC=C3)(C)C)C

InChI

InChI=1S/C20H28O2S/c1-5-23-22-17-11-16-12-20(3,4)19(18(16)14(17)2)21-13-15-9-7-6-8-10-15/h6-10,16,18-19H,5,11-13H2,1-4H3/t16-,18-,19+/m0/s1