2-[5-[2-(7-hexyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl]ethanoate

Systemtic Name: 2-[5-[2-(7-hexyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl]ethanoate Openeye Name: 2-[5-[2-(7-hexyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]-2-furyl]acetate CAS Name: 2-[5-[2-(7-hexyl-4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-furanyl]acetate IUPAC Name: 2-[5-[2-(7-hexyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl]acetate Traditional Name: 2-[5-[2-(7-hexyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]-2-furyl]acetate Formula: C25H29O3S- MolecularWeight: 409.56096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1C#CC3=CC=C(O3)CC(=O)[O-])C(CCS2)(C)C

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1C#CC3=CC=C(O3)CC(=O)[O-])C(CCS2)(C)C

InChI

InChI=1S/C25H30O3S/c1-4-5-6-7-8-18-16-23-22(25(2,3)13-14-29-23)15-19(18)9-10-20-11-12-21(28-20)17-24(26)27/h11-12,15-16H,4-8,13-14,17H2,1-3H3,(H,26,27)/p-1