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

Systemtic Name: (E)-1-phenyl-3-(3,4,5-tripropoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)prop-2-en-1-one Openeye Name: (E)-1-phenyl-3-(3,4,5-tripropoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)prop-2-en-1-one CAS Name: (E)-1-phenyl-3-[3,4,5-tripropoxy-4-(propylthio)-1-cyclohexa-2,5-dienyl]-2-propen-1-one IUPAC Name: (E)-1-phenyl-3-(3,4,5-tripropoxy-4-propylsulfanylcyclohexa-2,5-dien-1-yl)prop-2-en-1-one Traditional Name: (E)-1-phenyl-3-[3,4,5-tripropoxy-4-(propylthio)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Formula: C27H38O4S MolecularWeight: 458.65322

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(C=C(C1(OCCC)SCCC)OCCC)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCOC1=CC(C=C(C1(OCCC)SCCC)OCCC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C27H38O4S/c1-5-16-29-25-20-22(14-15-24(28)23-12-10-9-11-13-23)21-26(30-17-6-2)27(25,31-18-7-3)32-19-8-4/h9-15,20-22H,5-8,16-19H2,1-4H3/b15-14+