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

Systemtic Name: (E)-1-phenyl-3-(3,4,5-tripentoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)prop-2-en-1-one Openeye Name: (E)-1-phenyl-3-(3,4,5-tripentoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)prop-2-en-1-one CAS Name: (E)-1-phenyl-3-[3,4,5-tripentoxy-4-(propylthio)-1-cyclohexa-2,5-dienyl]-2-propen-1-one IUPAC Name: (E)-1-phenyl-3-(3,4,5-tripentoxy-4-propylsulfanylcyclohexa-2,5-dien-1-yl)prop-2-en-1-one Traditional Name: (E)-1-phenyl-3-[3,4,5-triamoxy-4-(propylthio)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Formula: C33H50O4S MolecularWeight: 542.8127

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC(C=C(C1(OCCCCC)SCCC)OCCCCC)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCOC1=CC(C=C(C1(OCCCCC)SCCC)OCCCCC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C33H50O4S/c1-5-9-15-22-35-31-26-28(20-21-30(34)29-18-13-12-14-19-29)27-32(36-23-16-10-6-2)33(31,38-25-8-4)37-24-17-11-7-3/h12-14,18-21,26-28H,5-11,15-17,22-25H2,1-4H3/b21-20+