(2,2-dimethyl-1-phenyl-9-phenylsulfanyl-non-4-yn-3-yl) methyl carbonate

Systemtic Name: (2,2-dimethyl-1-phenyl-9-phenylsulfanyl-non-4-yn-3-yl) methyl carbonate Openeye Name: [1-(1,1-dimethyl-2-phenyl-ethyl)-7-phenylsulfanyl-hept-2-ynyl] methyl carbonate CAS Name: carbonic acid [2,2-dimethyl-1-phenyl-9-(phenylthio)non-4-yn-3-yl] methyl ester IUPAC Name: (2,2-dimethyl-1-phenyl-9-phenylsulfanylnon-4-yn-3-yl) methyl carbonate Traditional Name: carbonic acid [1-(1,1-dimethyl-2-phenyl-ethyl)-7-(phenylthio)hept-2-ynyl] methyl ester Formula: C25H30O3S MolecularWeight: 410.5689

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=CC=C1)C(C#CCCCCSC2=CC=CC=C2)OC(=O)OC

Isomeric SMILES

CC(C)(CC1=CC=CC=C1)C(C#CCCCCSC2=CC=CC=C2)OC(=O)OC

InChI

InChI=1S/C25H30O3S/c1-25(2,20-21-14-8-6-9-15-21)23(28-24(26)27-3)18-12-4-5-13-19-29-22-16-10-7-11-17-22/h6-11,14-17,23H,4-5,13,19-20H2,1-3H3