4-[2-[4-(5-tert-butylthiophen-2-yl)-2,2-dimethyl-thiochromen-6-yl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[4-(5-tert-butylthiophen-2-yl)-2,2-dimethyl-thiochromen-6-yl]ethynyl]benzoic acid Openeye Name: 4-[2-[4-(5-tert-butyl-2-thienyl)-2,2-dimethyl-thiochromen-6-yl]ethynyl]benzoic acid CAS Name: 4-[2-[4-(5-tert-butyl-2-thiophenyl)-2,2-dimethyl-1-benzothiopyran-6-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-[4-(5-tert-butylthiophen-2-yl)-2,2-dimethylthiochromen-6-yl]ethynyl]benzoic acid Traditional Name: 4-[2-[4-(5-tert-butyl-2-thienyl)-2,2-dimethyl-thiochromen-6-yl]ethynyl]benzoic acid Formula: C28H26O2S2 MolecularWeight: 458.63484

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=C(S1)C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)C4=CC=C(S4)C(C)(C)C)C

Isomeric SMILES

CC1(C=C(C2=C(S1)C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)C4=CC=C(S4)C(C)(C)C)C

InChI

InChI=1S/C28H26O2S2/c1-27(2,3)25-15-14-23(31-25)22-17-28(4,5)32-24-13-10-19(16-21(22)24)7-6-18-8-11-20(12-9-18)26(29)30/h8-17H,1-5H3,(H,29,30)