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

Systemtic Name: (E)-3-(4-henicosylsulfanyl-3,4,5-tripentoxy-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-henicosylsulfanyl-3,4,5-tripentoxy-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(heneicosylthio)-3,4,5-tripentoxy-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-henicosylsulfanyl-3,4,5-tripentoxycyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-1-phenyl-3-[3,4,5-triamoxy-4-(heneicosylthio)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Formula: C51H86O4S MolecularWeight: 795.29114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCSC1(C(=CC(C=C1OCCCCC)C=CC(=O)C2=CC=CC=C2)OCCCCC)OCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCSC1(C(=CC(C=C1OCCCCC)/C=C/C(=O)C2=CC=CC=C2)OCCCCC)OCCCCC

InChI

InChI=1S/C51H86O4S/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-35-43-56-51(55-42-34-12-8-4)49(53-40-32-10-6-2)44-46(45-50(51)54-41-33-11-7-3)38-39-48(52)47-36-30-29-31-37-47/h29-31,36-39,44-46H,5-28,32-35,40-43H2,1-4H3/b39-38+