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(E)-1-(3-hexadecoxyphenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one
(E)-1-(3-hexadecoxyphenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one
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Descriptors Computed from Structure
Canonical SMILES:
CCCCCCCCCCCCCCCCOC1=CC=CC(=C1)C(=O)C=CC2=CC=C(C=C2)SC
Isomeric SMILES
CCCCCCCCCCCCCCCCOC1=CC=CC(=C1)C(=O)/C=C/C2=CC=C(C=C2)SC
InChI
InChI=1S/C32H46O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-34-30-19-17-18-29(27-30)32(33)25-22-28-20-23-31(35-2)24-21-28/h17-25,27H,3-16,26H2,1-2H3/b25-22+
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