4,4-didodecyl-2-(phenyltrisulfanyl)cyclohexa-2,5-diene-1,1-diol

Systemtic Name: 4,4-didodecyl-2-(phenyltrisulfanyl)cyclohexa-2,5-diene-1,1-diol Openeye Name: 4,4-didodecyl-2-(phenyltrisulfanyl)cyclohexa-2,5-diene-1,1-diol CAS Name: 4,4-didodecyl-2-(phenyltrisulfanyl)cyclohexa-2,5-diene-1,1-diol IUPAC Name: 4,4-didodecyl-2-(phenyltrisulfanyl)cyclohexa-2,5-diene-1,1-diol Traditional Name: 4,4-dilauryl-2-(phenyltrisulfanyl)cyclohexa-2,5-diene-1,1-diol Formula: C36H60O2S3 MolecularWeight: 621.0554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1(C=CC(C(=C1)SSSC2=CC=CC=C2)(O)O)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1(C=CC(C(=C1)SSSC2=CC=CC=C2)(O)O)CCCCCCCCCCCC

InChI

InChI=1S/C36H60O2S3/c1-3-5-7-9-11-13-15-17-19-24-28-35(29-25-20-18-16-14-12-10-8-6-4-2)30-31-36(37,38)34(32-35)40-41-39-33-26-22-21-23-27-33/h21-23,26-27,30-32,37-38H,3-20,24-25,28-29H2,1-2H3