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

Systemtic Name: (E)-1-phenyl-3-(3,4,5-trimethoxy-4-octadecylsulfanyl-cyclohexa-2,5-dien-1-yl)prop-2-en-1-one Openeye Name: (E)-1-phenyl-3-(3,4,5-trimethoxy-4-octadecylsulfanyl-cyclohexa-2,5-dien-1-yl)prop-2-en-1-one CAS Name: (E)-1-phenyl-3-[3,4,5-trimethoxy-4-(octadecylthio)-1-cyclohexa-2,5-dienyl]-2-propen-1-one IUPAC Name: (E)-1-phenyl-3-(3,4,5-trimethoxy-4-octadecylsulfanylcyclohexa-2,5-dien-1-yl)prop-2-en-1-one Traditional Name: (E)-1-phenyl-3-[3,4,5-trimethoxy-4-(stearylthio)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Formula: C36H56O4S MolecularWeight: 584.89244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1(C(=CC(C=C1OC)C=CC(=O)C2=CC=CC=C2)OC)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1(C(=CC(C=C1OC)/C=C/C(=O)C2=CC=CC=C2)OC)OC

InChI

InChI=1S/C36H56O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-41-36(40-4)34(38-2)29-31(30-35(36)39-3)26-27-33(37)32-24-21-20-22-25-32/h20-22,24-27,29-31H,5-19,23,28H2,1-4H3/b27-26+