ethyl 4-[2-(4,4-diethyl-7-hexyl-2,3-dihydrothiochromen-6-yl)ethynyl]benzoate

Systemtic Name: ethyl 4-[2-(4,4-diethyl-7-hexyl-2,3-dihydrothiochromen-6-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(4,4-diethyl-7-hexyl-thiochroman-6-yl)ethynyl]benzoate CAS Name: 4-[2-(4,4-diethyl-7-hexyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4,4-diethyl-7-hexyl-2,3-dihydrothiochromen-6-yl)ethynyl]benzoate Traditional Name: 4-[2-(4,4-diethyl-7-hexyl-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(CCS2)(CC)CC

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)C(=O)OCC)C(CCS2)(CC)CC

InChI

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