ethyl 2-[4-[2-(7-hexyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]ethanoate

Systemtic Name: ethyl 2-[4-[2-(7-hexyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]ethanoate Openeye Name: ethyl 2-[4-[2-(7-hexyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]phenyl]acetate CAS Name: 2-[4-[2-(7-hexyl-4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(7-hexyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]acetate Traditional Name: 2-[4-[2-(7-hexyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]phenyl]acetic acid ethyl ester Formula: C29H36O2S MolecularWeight: 448.65994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36O2S/c1-5-7-8-9-10-24-21-27-26(29(3,4)17-18-32-27)20-25(24)16-15-22-11-13-23(14-12-22)19-28(30)31-6-2/h11-14,20-21H,5-10,17-19H2,1-4H3