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

Systemtic Name: (E)-3-[3,4-di(nonadecoxy)-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-[3,4-di(nonadecoxy)-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[3,4-di(nonadecoxy)-4-(propylthio)-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-[3,4-di(nonadecoxy)-4-propylsulfanylcyclohexa-2,5-dien-1-yl]-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[3,4-di(nonadecoxy)-4-(propylthio)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C56H96O3S MolecularWeight: 849.42464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCOC1=CC(C=CC1(OCCCCCCCCCCCCCCCCCCC)SCCC)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCOC1=CC(C=CC1(OCCCCCCCCCCCCCCCCCCC)SCCC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C56H96O3S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40-48-58-55-51-52(44-45-54(57)53-42-38-37-39-43-53)46-47-56(55,60-50-6-3)59-49-41-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h37-39,42-47,51-52H,4-36,40-41,48-50H2,1-3H3/b45-44+