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

Systemtic Name: (E)-3-(4-icosylsulfanyl-3,4,5-tripropoxy-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-icosylsulfanyl-3,4,5-tripropoxy-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(eicosylthio)-3,4,5-tripropoxy-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-icosylsulfanyl-3,4,5-tripropoxycyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(arachylthio)-3,4,5-tripropoxy-cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C44H72O4S MolecularWeight: 697.10508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCSC1(C(=CC(C=C1OCCC)C=CC(=O)C2=CC=CC=C2)OCCC)OCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCSC1(C(=CC(C=C1OCCC)/C=C/C(=O)C2=CC=CC=C2)OCCC)OCCC

InChI

InChI=1S/C44H72O4S/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-36-49-44(48-35-8-4)42(46-33-6-2)37-39(38-43(44)47-34-7-3)31-32-41(45)40-29-26-25-27-30-40/h25-27,29-32,37-39H,5-24,28,33-36H2,1-4H3/b32-31+