2-[5-[2-(4,4-diethyl-7-hexyl-2,3-dihydrothiochromen-6-yl)ethynyl]thiophen-2-yl]ethanoic acid

Systemtic Name: 2-[5-[2-(4,4-diethyl-7-hexyl-2,3-dihydrothiochromen-6-yl)ethynyl]thiophen-2-yl]ethanoic acid Openeye Name: 2-[5-[2-(4,4-diethyl-7-hexyl-thiochroman-6-yl)ethynyl]-2-thienyl]acetic acid CAS Name: 2-[5-[2-(4,4-diethyl-7-hexyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-thiophenyl]acetic acid IUPAC Name: 2-[5-[2-(4,4-diethyl-7-hexyl-2,3-dihydrothiochromen-6-yl)ethynyl]thiophen-2-yl]acetic acid Traditional Name: 2-[5-[2-(4,4-diethyl-7-hexyl-thiochroman-6-yl)ethynyl]-2-thienyl]acetic acid Formula: C27H34O2S2 MolecularWeight: 454.68766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1C#CC3=CC=C(S3)CC(=O)O)C(CCS2)(CC)CC

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1C#CC3=CC=C(S3)CC(=O)O)C(CCS2)(CC)CC

InChI

InChI=1S/C27H34O2S2/c1-4-7-8-9-10-20-18-25-24(27(5-2,6-3)15-16-30-25)17-21(20)11-12-22-13-14-23(31-22)19-26(28)29/h13-14,17-18H,4-10,15-16,19H2,1-3H3,(H,28,29)