(E)-1-phenyl-3-[3,4,5-tris(butylsulfanyl)-4-octadecoxy-cyclohexa-2,5-dien-1-yl]prop-2-en-1-one

Systemtic Name: (E)-1-phenyl-3-[3,4,5-tris(butylsulfanyl)-4-octadecoxy-cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Openeye Name: (E)-1-phenyl-3-[3,4,5-tris(butylsulfanyl)-4-octadecoxy-cyclohexa-2,5-dien-1-yl]prop-2-en-1-one CAS Name: (E)-1-phenyl-3-[3,4,5-tris(butylthio)-4-octadecoxy-1-cyclohexa-2,5-dienyl]-2-propen-1-one IUPAC Name: (E)-1-phenyl-3-[3,4,5-tris(butylsulfanyl)-4-octadecoxycyclohexa-2,5-dien-1-yl]prop-2-en-1-one Traditional Name: (E)-1-phenyl-3-[3,4,5-tris(butylthio)-4-stearyloxy-cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Formula: C45H74O2S3 MolecularWeight: 743.26286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1(C(=CC(C=C1SCCCC)C=CC(=O)C2=CC=CC=C2)SCCCC)SCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1(C(=CC(C=C1SCCCC)/C=C/C(=O)C2=CC=CC=C2)SCCCC)SCCCC

InChI

InChI=1S/C45H74O2S3/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-25-29-34-47-45(50-37-12-8-4)43(48-35-10-6-2)38-40(39-44(45)49-36-11-7-3)32-33-42(46)41-30-27-26-28-31-41/h26-28,30-33,38-40H,5-25,29,34-37H2,1-4H3/b33-32+