(E)-5-(1,3-benzodioxol-5-yl)-2-(1,3-dithiolan-2-ylidene)-1-phenyl-pent-4-ene-1,3-dione

Systemtic Name: (E)-5-(1,3-benzodioxol-5-yl)-2-(1,3-dithiolan-2-ylidene)-1-phenyl-pent-4-ene-1,3-dione Openeye Name: (E)-5-(1,3-benzodioxol-5-yl)-2-(1,3-dithiolan-2-ylidene)-1-phenyl-pent-4-ene-1,3-dione CAS Name: (E)-5-(1,3-benzodioxol-5-yl)-2-(1,3-dithiolan-2-ylidene)-1-phenyl-4-pentene-1,3-dione IUPAC Name: (E)-5-(1,3-benzodioxol-5-yl)-2-(1,3-dithiolan-2-ylidene)-1-phenylpent-4-ene-1,3-dione Traditional Name: (E)-5-(1,3-benzodioxol-5-yl)-2-(1,3-dithiolan-2-ylidene)-1-phenyl-pent-4-ene-1,3-dione Formula: C21H16O4S2 MolecularWeight: 396.47934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=C(C(=O)C=CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4)S1

Isomeric SMILES

C1CSC(=C(C(=O)/C=C/C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4)S1

InChI

InChI=1S/C21H16O4S2/c22-16(8-6-14-7-9-17-18(12-14)25-13-24-17)19(21-26-10-11-27-21)20(23)15-4-2-1-3-5-15/h1-9,12H,10-11,13H2/b8-6+