2-(1,3-dithiol-2-ylidene)-1-phenyl-octadecane-1,3-dione

Systemtic Name: 2-(1,3-dithiol-2-ylidene)-1-phenyl-octadecane-1,3-dione Openeye Name: 2-(1,3-dithiol-2-ylidene)-1-phenyl-octadecane-1,3-dione CAS Name: 2-(1,3-dithiol-2-ylidene)-1-phenyloctadecane-1,3-dione IUPAC Name: 2-(1,3-dithiol-2-ylidene)-1-phenyloctadecane-1,3-dione Traditional Name: 2-(1,3-dithiol-2-ylidene)-1-phenyl-octadecane-1,3-dione Formula: C27H38O2S2 MolecularWeight: 458.71942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(=C1SC=CS1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(=C1SC=CS1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C27H38O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(28)25(27-30-21-22-31-27)26(29)23-18-15-14-16-19-23/h14-16,18-19,21-22H,2-13,17,20H2,1H3