(2E,6E,10S,11R)-4,4,7,11-tetramethyl-10-phenylsulfanyl-cycloundeca-2,6-dien-1-one

Systemtic Name: (2E,6E,10S,11R)-4,4,7,11-tetramethyl-10-phenylsulfanyl-cycloundeca-2,6-dien-1-one Openeye Name: (2E,6E,10S,11R)-4,4,7,11-tetramethyl-10-phenylsulfanyl-cycloundeca-2,6-dien-1-one CAS Name: (2E,6E,10S,11R)-4,4,7,11-tetramethyl-10-(phenylthio)-1-cycloundeca-2,6-dienone IUPAC Name: (2E,6E,10S,11R)-4,4,7,11-tetramethyl-10-phenylsulfanylcycloundeca-2,6-dien-1-one Traditional Name: (2E,6E,10S,11R)-4,4,7,11-tetramethyl-10-(phenylthio)cycloundeca-2,6-dien-1-one Formula: C21H28OS MolecularWeight: 328.51142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC(=CCC(C=CC1=O)(C)C)C)SC2=CC=CC=C2

Isomeric SMILES

C[C@H]1[C@H](CC/C(=C/CC(/C=C/C1=O)(C)C)/C)SC2=CC=CC=C2

InChI

InChI=1S/C21H28OS/c1-16-10-11-20(23-18-8-6-5-7-9-18)17(2)19(22)13-15-21(3,4)14-12-16/h5-9,12-13,15,17,20H,10-11,14H2,1-4H3/b15-13+,16-12+/t17-,20+/m1/s1