ethyl 4-[2-(7-hexyl-2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]benzoate

Systemtic Name: ethyl 4-[2-(7-hexyl-2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(7-hexyl-2,2,4,4-tetramethyl-thiochroman-6-yl)ethynyl]benzoate CAS Name: 4-[2-(7-hexyl-2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(7-hexyl-2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]benzoate Traditional Name: 4-[2-(7-hexyl-2,2,4,4-tetramethyl-thiochroman-6-yl)ethynyl]benzoic acid ethyl ester Formula: C30H38O2S MolecularWeight: 462.68652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)C(=O)OCC)C(CC(S2)(C)C)(C)C

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)C(=O)OCC)C(CC(S2)(C)C)(C)C

InChI

InChI=1S/C30H38O2S/c1-7-9-10-11-12-24-20-27-26(29(3,4)21-30(5,6)33-27)19-25(24)18-15-22-13-16-23(17-14-22)28(31)32-8-2/h13-14,16-17,19-20H,7-12,21H2,1-6H3