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

Systemtic Name: (E)-1-phenyl-3-(3,4,5-trioctoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)prop-2-en-1-one Openeye Name: (E)-1-phenyl-3-(3,4,5-trioctoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)prop-2-en-1-one CAS Name: (E)-1-phenyl-3-[3,4,5-trioctoxy-4-(propylthio)-1-cyclohexa-2,5-dienyl]-2-propen-1-one IUPAC Name: (E)-1-phenyl-3-(3,4,5-trioctoxy-4-propylsulfanylcyclohexa-2,5-dien-1-yl)prop-2-en-1-one Traditional Name: (E)-1-phenyl-3-[3,4,5-trioctoxy-4-(propylthio)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Formula: C42H68O4S MolecularWeight: 669.05192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(C=C(C1(OCCCCCCCC)SCCC)OCCCCCCCC)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCOC1=CC(C=C(C1(OCCCCCCCC)SCCC)OCCCCCCCC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C42H68O4S/c1-5-9-12-15-18-24-31-44-40-35-37(29-30-39(43)38-27-22-21-23-28-38)36-41(45-32-25-19-16-13-10-6-2)42(40,47-34-8-4)46-33-26-20-17-14-11-7-3/h21-23,27-30,35-37H,5-20,24-26,31-34H2,1-4H3/b30-29+