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

Systemtic Name: (E)-1-phenyl-3-[3,4,5-tris(hexylsulfanyl)-4-nonadecoxy-cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Openeye Name: (E)-1-phenyl-3-[3,4,5-tris(hexylsulfanyl)-4-nonadecoxy-cyclohexa-2,5-dien-1-yl]prop-2-en-1-one CAS Name: (E)-1-phenyl-3-[3,4,5-tris(hexylthio)-4-nonadecoxy-1-cyclohexa-2,5-dienyl]-2-propen-1-one IUPAC Name: (E)-1-phenyl-3-[3,4,5-tris(hexylsulfanyl)-4-nonadecoxycyclohexa-2,5-dien-1-yl]prop-2-en-1-one Traditional Name: (E)-1-phenyl-3-[3,4,5-tris(hexylthio)-4-nonadecoxy-cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Formula: C52H88O2S3 MolecularWeight: 841.44892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCOC1(C(=CC(C=C1SCCCCCC)C=CC(=O)C2=CC=CC=C2)SCCCCCC)SCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCOC1(C(=CC(C=C1SCCCCCC)/C=C/C(=O)C2=CC=CC=C2)SCCCCCC)SCCCCCC

InChI

InChI=1S/C52H88O2S3/c1-5-9-13-17-18-19-20-21-22-23-24-25-26-27-28-29-33-41-54-52(57-44-36-16-12-8-4)50(55-42-34-14-10-6-2)45-47(46-51(52)56-43-35-15-11-7-3)39-40-49(53)48-37-31-30-32-38-48/h30-32,37-40,45-47H,5-29,33-36,41-44H2,1-4H3/b40-39+