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ethyl 3-[4-[2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]propanoate
ethyl 3-[4-[2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]propanoate
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Descriptors Computed from Structure
Canonical SMILES:
CCC1(CCSC2=C1C=C(C(=C2)C)C#CC3=CC=C(C=C3)CCC(=O)OCC)CC
Isomeric SMILES
CCC1(CCSC2=C1C=C(C(=C2)C)C#CC3=CC=C(C=C3)CCC(=O)OCC)CC
InChI
InChI=1S/C27H32O2S/c1-5-27(6-2)16-17-30-25-18-20(4)23(19-24(25)27)14-12-21-8-10-22(11-9-21)13-15-26(28)29-7-3/h8-11,18-19H,5-7,13,15-17H2,1-4H3
Other Product
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