(E)-3-(3,4-didodecoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(3,4-didodecoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(3,4-didodecoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[3,4-didodecoxy-4-(propylthio)-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(3,4-didodecoxy-4-propylsulfanylcyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[3,4-dilauryloxy-4-(propylthio)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C42H68O3S MolecularWeight: 653.05252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(C=CC1(OCCCCCCCCCCCC)SCCC)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(C=CC1(OCCCCCCCCCCCC)SCCC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C42H68O3S/c1-4-7-9-11-13-15-17-19-21-26-34-44-41-37-38(30-31-40(43)39-28-24-23-25-29-39)32-33-42(41,46-36-6-3)45-35-27-22-20-18-16-14-12-10-8-5-2/h23-25,28-33,37-38H,4-22,26-27,34-36H2,1-3H3/b31-30+