(4E)-5-(1,3-benzodioxol-5-yl)-1,1-bis(phenylmethylsulfanyl)penta-1,4-dien-3-one

Systemtic Name: (4E)-5-(1,3-benzodioxol-5-yl)-1,1-bis(phenylmethylsulfanyl)penta-1,4-dien-3-one Openeye Name: (4E)-5-(1,3-benzodioxol-5-yl)-1,1-bis(benzylsulfanyl)penta-1,4-dien-3-one CAS Name: (4E)-5-(1,3-benzodioxol-5-yl)-1,1-bis(phenylmethylthio)-3-penta-1,4-dienone IUPAC Name: (4E)-5-(1,3-benzodioxol-5-yl)-1,1-bis(benzylsulfanyl)penta-1,4-dien-3-one Traditional Name: (4E)-5-(1,3-benzodioxol-5-yl)-1,1-bis(benzylthio)penta-1,4-dien-3-one Formula: C26H22O3S2 MolecularWeight: 446.58108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)C=C(SCC3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)C=C(SCC3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C26H22O3S2/c27-23(13-11-20-12-14-24-25(15-20)29-19-28-24)16-26(30-17-21-7-3-1-4-8-21)31-18-22-9-5-2-6-10-22/h1-16H,17-19H2/b13-11+