2,7-dimethyloct-7-en-5-yn-4-yl 2-phenylsulfanylethanoate

Systemtic Name: 2,7-dimethyloct-7-en-5-yn-4-yl 2-phenylsulfanylethanoate Openeye Name: (1-isobutyl-4-methyl-pent-4-en-2-ynyl) 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid 2,7-dimethyloct-7-en-5-yn-4-yl ester IUPAC Name: 2,7-dimethyloct-7-en-5-yn-4-yl 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid (1-isobutyl-4-methyl-pent-4-en-2-ynyl) ester Formula: C18H22O2S MolecularWeight: 302.43108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C#CC(=C)C)OC(=O)CSC1=CC=CC=C1

Isomeric SMILES

CC(C)CC(C#CC(=C)C)OC(=O)CSC1=CC=CC=C1

InChI

InChI=1S/C18H22O2S/c1-14(2)10-11-16(12-15(3)4)20-18(19)13-21-17-8-6-5-7-9-17/h5-9,15-16H,1,12-13H2,2-4H3