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

Systemtic Name: (E)-3-[4-tert-butylsulfanyl-3,4,5-tri(nonoxy)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-[4-tert-butylsulfanyl-3,4,5-tri(nonoxy)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(tert-butylthio)-3,4,5-tri(nonoxy)-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-[4-tert-butylsulfanyl-3,4,5-tri(nonoxy)cyclohexa-2,5-dien-1-yl]-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(tert-butylthio)-3,4,5-tri(nonoxy)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C46H76O4S MolecularWeight: 725.15824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC(C=C(C1(OCCCCCCCCC)SC(C)(C)C)OCCCCCCCCC)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCOC1=CC(C=C(C1(OCCCCCCCCC)SC(C)(C)C)OCCCCCCCCC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C46H76O4S/c1-7-10-13-16-19-22-28-35-48-43-38-40(33-34-42(47)41-31-26-25-27-32-41)39-44(49-36-29-23-20-17-14-11-8-2)46(43,51-45(4,5)6)50-37-30-24-21-18-15-12-9-3/h25-27,31-34,38-40H,7-24,28-30,35-37H2,1-6H3/b34-33+