1-(3-phenoxyphenyl)prop-2-ynyl 2,2-dimethyl-3-[(2-methyl-1,3-dithiolan-2-yl)methyl]cyclopropane-1-carboxylate

Systemtic Name: 1-(3-phenoxyphenyl)prop-2-ynyl 2,2-dimethyl-3-[(2-methyl-1,3-dithiolan-2-yl)methyl]cyclopropane-1-carboxylate Openeye Name: 1-(3-phenoxyphenyl)prop-2-ynyl 2,2-dimethyl-3-[(2-methyl-1,3-dithiolan-2-yl)methyl]cyclopropanecarboxylate CAS Name: 2,2-dimethyl-3-[(2-methyl-1,3-dithiolan-2-yl)methyl]-1-cyclopropanecarboxylic acid 1-(3-phenoxyphenyl)prop-2-ynyl ester IUPAC Name: 1-(3-phenoxyphenyl)prop-2-ynyl 2,2-dimethyl-3-[(2-methyl-1,3-dithiolan-2-yl)methyl]cyclopropane-1-carboxylate Traditional Name: 2,2-dimethyl-3-[(2-methyl-1,3-dithiolan-2-yl)methyl]cyclopropanecarboxylic acid 1-(3-phenoxyphenyl)prop-2-ynyl ester Formula: C26H28O3S2 MolecularWeight: 452.62872

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C1C(=O)OC(C#C)C2=CC(=CC=C2)OC3=CC=CC=C3)CC4(SCCS4)C)C

Isomeric SMILES

CC1(C(C1C(=O)OC(C#C)C2=CC(=CC=C2)OC3=CC=CC=C3)CC4(SCCS4)C)C

InChI

InChI=1S/C26H28O3S2/c1-5-22(18-10-9-13-20(16-18)28-19-11-7-6-8-12-19)29-24(27)23-21(25(23,2)3)17-26(4)30-14-15-31-26/h1,6-13,16,21-23H,14-15,17H2,2-4H3