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methyl 4-[(E)-2-[4-[(E)-2-[5-[(E)-2-[3-ethyl-4-[[[4-[3,3,4,4,5,5,6,6,6-nonakis(fluoranyl)hexyl]phenyl]methyl-propyl-amino]diazenyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]phenyl]ethenyl]benzoate

methyl 4-[(E)-2-[4-[(E)-2-[5-[(E)-2-[3-ethyl-4-[[[4-[3,3,4,4,5,5,6,6,6-nonakis(fluoranyl)hexyl]phenyl]methyl-propyl-amino]diazenyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]phenyl]ethenyl]benzoate

Systemtic Name:methyl 4-[(E)-2-[4-[(E)-2-[5-[(E)-2-[3-ethyl-4-[[[4-[3,3,4,4,5,5,6,6,6-nonakis(fluoranyl)hexyl]phenyl]methyl-propyl-amino]diazenyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]phenyl]ethenyl]benzoate
Openeye Name:methyl 4-[(E)-2-[4-[(E)-2-[5-[(E)-2-[3-ethyl-4-[[4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phenyl]methyl-propyl-amino]azo-phenyl]vinyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]vinyl]phenyl]vinyl]benzoate
CAS Name:4-[(E)-2-[4-[(E)-2-[5-[(E)-2-[3-ethyl-4-[[4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phenyl]methyl-propylamino]azophenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]phenyl]ethenyl]benzoic acid methyl ester
IUPAC Name:methyl 4-[(E)-2-[4-[(E)-2-[5-[(E)-2-[3-ethyl-4-[[[4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phenyl]methyl-propylamino]diazenyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]phenyl]ethenyl]benzoate
Traditional Name:4-[(E)-2-[4-[(E)-2-[5-[(E)-2-[3-ethyl-4-[[4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)benzyl]-propyl-amino]azo-phenyl]vinyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]vinyl]phenyl]vinyl]benzoic acid methyl ester
Formula: C50H46F9N3O4S
MolecularWeight: 955.968569
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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)N=NC2=C(C=C(C=C2)C=CC3=C4C(=C(S3)C=CC5=CC=C(C=C5)C=CC6=CC=C(C=C6)C(=O)OC)OCCO4)CC


Isomeric SMILES

CCCN(CC1=CC=C(C=C1)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)N=NC2=C(C=C(C=C2)/C=C/C3=C4C(=C(S3)/C=C/C5=CC=C(C=C5)/C=C/C6=CC=C(C=C6)C(=O)OC)OCCO4)CC


InChI

InChI=1S/C50H46F9N3O4S/c1-4-28-62(32-38-14-12-36(13-15-38)26-27-47(51,52)48(53,54)49(55,56)50(57,58)59)61-60-41-23-18-37(31-39(41)5-2)20-25-43-45-44(65-29-30-66-45)42(67-43)24-19-34-9-6-33(7-10-34)8-11-35-16-21-40(22-17-35)46(63)64-3/h6-25,31H,4-5,26-30,32H2,1-3H3/b11-8+,24-19+,25-20+,61-60?


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