(E)-1-phenyl-3-[3,4,5-tri(pentadecoxy)-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl]prop-2-en-1-one

Systemtic Name: (E)-1-phenyl-3-[3,4,5-tri(pentadecoxy)-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Openeye Name: (E)-1-phenyl-3-[3,4,5-tri(pentadecoxy)-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl]prop-2-en-1-one CAS Name: (E)-1-phenyl-3-[3,4,5-tri(pentadecoxy)-4-(propylthio)-1-cyclohexa-2,5-dienyl]-2-propen-1-one IUPAC Name: (E)-1-phenyl-3-[3,4,5-tri(pentadecoxy)-4-propylsulfanylcyclohexa-2,5-dien-1-yl]prop-2-en-1-one Traditional Name: (E)-1-phenyl-3-[3,4,5-tri(pentadecoxy)-4-(propylthio)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Formula: C63H110O4S MolecularWeight: 963.6101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC1=CC(C=C(C1(OCCCCCCCCCCCCCCC)SCCC)OCCCCCCCCCCCCCCC)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCOC1=CC(C=C(C1(OCCCCCCCCCCCCCCC)SCCC)OCCCCCCCCCCCCCCC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C63H110O4S/c1-5-9-12-15-18-21-24-27-30-33-36-39-45-52-65-61-56-58(50-51-60(64)59-48-43-42-44-49-59)57-62(66-53-46-40-37-34-31-28-25-22-19-16-13-10-6-2)63(61,68-55-8-4)67-54-47-41-38-35-32-29-26-23-20-17-14-11-7-3/h42-44,48-51,56-58H,5-41,45-47,52-55H2,1-4H3/b51-50+