(1R,5R,6S)-5-methyl-3-phenylsulfanyl-11-oxabicyclo[4.4.1]undec-3-ene

Systemtic Name: (1R,5R,6S)-5-methyl-3-phenylsulfanyl-11-oxabicyclo[4.4.1]undec-3-ene Openeye Name: (1R,5R,6S)-5-methyl-3-phenylsulfanyl-11-oxabicyclo[4.4.1]undec-3-ene CAS Name: (1R,5R,6S)-5-methyl-3-(phenylthio)-11-oxabicyclo[4.4.1]undec-3-ene IUPAC Name: (1R,5R,6S)-5-methyl-3-phenylsulfanyl-11-oxabicyclo[4.4.1]undec-3-ene Traditional Name: (1R,5R,6S)-5-methyl-3-(phenylthio)-11-oxabicyclo[4.4.1]undec-3-ene Formula: C17H22OS MolecularWeight: 274.42098

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(CC2CCCCC1O2)SC3=CC=CC=C3

Isomeric SMILES

C[C@@H]1C=C(C[C@H]2CCCC[C@@H]1O2)SC3=CC=CC=C3

InChI

InChI=1S/C17H22OS/c1-13-11-16(19-15-8-3-2-4-9-15)12-14-7-5-6-10-17(13)18-14/h2-4,8-9,11,13-14,17H,5-7,10,12H2,1H3/t13-,14-,17+/m1/s1