6-phenylsulfanylhexa-1,4-diyn-3-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

Systemtic Name: 6-phenylsulfanylhexa-1,4-diyn-3-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate Openeye Name: (1-ethynyl-4-phenylsulfanyl-but-2-ynyl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate CAS Name: 2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid 6-(phenylthio)hexa-1,4-diyn-3-yl ester IUPAC Name: 6-phenylsulfanylhexa-1,4-diyn-3-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate Traditional Name: 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid [1-ethynyl-4-(phenylthio)but-2-ynyl] ester Formula: C22H24O2S MolecularWeight: 352.48976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1C(C1(C)C)C(=O)OC(C#C)C#CCSC2=CC=CC=C2)C

Isomeric SMILES

CC(=CC1C(C1(C)C)C(=O)OC(C#C)C#CCSC2=CC=CC=C2)C

InChI

InChI=1S/C22H24O2S/c1-6-17(11-10-14-25-18-12-8-7-9-13-18)24-21(23)20-19(15-16(2)3)22(20,4)5/h1,7-9,12-13,15,17,19-20H,14H2,2-5H3