[3-tert-butyl-4-(2,2-dimethylpropyl)-1,2-dithiol-3-yl] prop-2-ynoate

Systemtic Name: [3-tert-butyl-4-(2,2-dimethylpropyl)-1,2-dithiol-3-yl] prop-2-ynoate Openeye Name: [3-tert-butyl-4-(2,2-dimethylpropyl)dithiol-3-yl] prop-2-ynoate CAS Name: 2-propynoic acid [3-tert-butyl-4-(2,2-dimethylpropyl)-3-dithiolyl] ester IUPAC Name: [3-tert-butyl-4-(2,2-dimethylpropyl)dithiol-3-yl] prop-2-ynoate Traditional Name: propiolic acid (3-tert-butyl-4-neopentyl-dithiol-3-yl) ester Formula: C15H22O2S2 MolecularWeight: 298.46398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=CSSC1(C(C)(C)C)OC(=O)C#C

Isomeric SMILES

CC(C)(C)CC1=CSSC1(C(C)(C)C)OC(=O)C#C

InChI

InChI=1S/C15H22O2S2/c1-8-12(16)17-15(14(5,6)7)11(10-18-19-15)9-13(2,3)4/h1,10H,9H2,2-7H3