2-[5-[2-(7-hexyl-2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]furan-2-yl]ethanoate

Systemtic Name: 2-[5-[2-(7-hexyl-2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]furan-2-yl]ethanoate Openeye Name: 2-[5-[2-(7-hexyl-2,2,4,4-tetramethyl-thiochroman-6-yl)ethynyl]-2-furyl]acetate CAS Name: 2-[5-[2-(7-hexyl-2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)ethynyl]-2-furanyl]acetate IUPAC Name: 2-[5-[2-(7-hexyl-2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]furan-2-yl]acetate Traditional Name: 2-[5-[2-(7-hexyl-2,2,4,4-tetramethyl-thiochroman-6-yl)ethynyl]-2-furyl]acetate Formula: C27H33O3S- MolecularWeight: 437.61412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1C#CC3=CC=C(O3)CC(=O)[O-])C(CC(S2)(C)C)(C)C

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1C#CC3=CC=C(O3)CC(=O)[O-])C(CC(S2)(C)C)(C)C

InChI

InChI=1S/C27H34O3S/c1-6-7-8-9-10-19-16-24-23(26(2,3)18-27(4,5)31-24)15-20(19)11-12-21-13-14-22(30-21)17-25(28)29/h13-16H,6-10,17-18H2,1-5H3,(H,28,29)/p-1