2-[(E)-12,13-bis(methylsulfanyl)nonadec-1-enyl]furan

Systemtic Name: 2-[(E)-12,13-bis(methylsulfanyl)nonadec-1-enyl]furan Openeye Name: 2-[(E)-12,13-bis(methylsulfanyl)nonadec-1-enyl]furan CAS Name: 2-[(E)-12,13-bis(methylthio)nonadec-1-enyl]furan IUPAC Name: 2-[(E)-12,13-bis(methylsulfanyl)nonadec-1-enyl]furan Traditional Name: 2-[(E)-12,13-bis(methylthio)nonadec-1-enyl]furan Formula: C25H44OS2 MolecularWeight: 424.74626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(CCCCCCCCCC=CC1=CC=CO1)SC)SC

Isomeric SMILES

CCCCCCC(C(CCCCCCCCC/C=C/C1=CC=CO1)SC)SC

InChI

InChI=1S/C25H44OS2/c1-4-5-6-15-20-24(27-2)25(28-3)21-16-13-11-9-7-8-10-12-14-18-23-19-17-22-26-23/h14,17-19,22,24-25H,4-13,15-16,20-21H2,1-3H3/b18-14+