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

Systemtic Name: (E)-3-(4-docosylsulfanyl-3,4,5-triheptoxy-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-docosylsulfanyl-3,4,5-triheptoxy-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(docosylthio)-3,4,5-triheptoxy-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-docosylsulfanyl-3,4,5-triheptoxycyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(behenylthio)-3,4,5-triheptoxy-cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C58H100O4S MolecularWeight: 893.4772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCSC1(C(=CC(C=C1OCCCCCCC)C=CC(=O)C2=CC=CC=C2)OCCCCCCC)OCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCSC1(C(=CC(C=C1OCCCCCCC)/C=C/C(=O)C2=CC=CC=C2)OCCCCCCC)OCCCCCCC

InChI

InChI=1S/C58H100O4S/c1-5-9-13-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-35-42-50-63-58(62-49-41-34-16-12-8-4)56(60-47-39-32-14-10-6-2)51-53(45-46-55(59)54-43-37-36-38-44-54)52-57(58)61-48-40-33-15-11-7-3/h36-38,43-46,51-53H,5-35,39-42,47-50H2,1-4H3/b46-45+