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ethyl 2-[4-(hexadecylamino)phenyl]sulfanylethanoate

ethyl 2-[4-(hexadecylamino)phenyl]sulfanylethanoate

Systemtic Name:ethyl 2-[4-(hexadecylamino)phenyl]sulfanylethanoate
Openeye Name:ethyl 2-[4-(hexadecylamino)phenyl]sulfanylacetate
CAS Name:2-[[4-(hexadecylamino)phenyl]thio]acetic acid ethyl ester
IUPAC Name:ethyl 2-[4-(hexadecylamino)phenyl]sulfanylacetate
Traditional Name:2-[[4-(cetylamino)phenyl]thio]acetic acid ethyl ester
Formula: C26H45NO2S
MolecularWeight: 435.706
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)SCC(=O)OCC


Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)SCC(=O)OCC


InChI

InChI=1S/C26H45NO2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-24-18-20-25(21-19-24)30-23-26(28)29-4-2/h18-21,27H,3-17,22-23H2,1-2H3


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