(4-but-2-ynoxyphenyl)sulfanyl 2-cyclohexylbutanoate

Systemtic Name: (4-but-2-ynoxyphenyl)sulfanyl 2-cyclohexylbutanoate Openeye Name: (4-but-2-ynoxyphenyl)sulfanyl 2-cyclohexylbutanoate CAS Name: 2-cyclohexylbutanoic acid [(4-but-2-ynoxyphenyl)thio] ester IUPAC Name: (4-but-2-ynoxyphenyl)sulfanyl 2-cyclohexylbutanoate Traditional Name: 2-cyclohexylbutyric acid [(4-but-2-ynoxyphenyl)thio] ester Formula: C20H26O3S MolecularWeight: 346.48364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCCC1)C(=O)OSC2=CC=C(C=C2)OCC#CC

Isomeric SMILES

CCC(C1CCCCC1)C(=O)OSC2=CC=C(C=C2)OCC#CC

InChI

InChI=1S/C20H26O3S/c1-3-5-15-22-17-11-13-18(14-12-17)24-23-20(21)19(4-2)16-9-7-6-8-10-16/h11-14,16,19H,4,6-10,15H2,1-2H3