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

Systemtic Name: 2-[5-[2-(7-hexyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]thiophen-2-yl]ethanoate Openeye Name: 2-[5-[2-(7-hexyl-2,2,4,4-tetramethyl-chroman-6-yl)ethynyl]-2-thienyl]acetate CAS Name: 2-[5-[2-(7-hexyl-2,2,4,4-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-2-thiophenyl]acetate IUPAC Name: 2-[5-[2-(7-hexyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]thiophen-2-yl]acetate Traditional Name: 2-[5-[2-(7-hexyl-2,2,4,4-tetramethyl-chroman-6-yl)ethynyl]-2-thienyl]acetate Formula: C27H33O3S- MolecularWeight: 437.61412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1C#CC3=CC=C(S3)CC(=O)[O-])C(CC(O2)(C)C)(C)C

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1C#CC3=CC=C(S3)CC(=O)[O-])C(CC(O2)(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)30-24)15-20(19)11-12-21-13-14-22(31-21)17-25(28)29/h13-16H,6-10,17-18H2,1-5H3,(H,28,29)/p-1