4-[2-[2,2-dimethyl-4-(4-propan-2-ylphenyl)thiochromen-6-yl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[2,2-dimethyl-4-(4-propan-2-ylphenyl)thiochromen-6-yl]ethynyl]benzoic acid Openeye Name: 4-[2-[4-(4-isopropylphenyl)-2,2-dimethyl-thiochromen-6-yl]ethynyl]benzoic acid CAS Name: 4-[2-[2,2-dimethyl-4-(4-propan-2-ylphenyl)-1-benzothiopyran-6-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-[2,2-dimethyl-4-(4-propan-2-ylphenyl)thiochromen-6-yl]ethynyl]benzoic acid Traditional Name: 4-[2-(2,2-dimethyl-4-p-cumenyl-thiochromen-6-yl)ethynyl]benzoic acid Formula: C29H26O2S MolecularWeight: 438.58054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=CC(SC3=C2C=C(C=C3)C#CC4=CC=C(C=C4)C(=O)O)(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=CC(SC3=C2C=C(C=C3)C#CC4=CC=C(C=C4)C(=O)O)(C)C

InChI

InChI=1S/C29H26O2S/c1-19(2)22-12-14-23(15-13-22)26-18-29(3,4)32-27-16-9-21(17-25(26)27)6-5-20-7-10-24(11-8-20)28(30)31/h7-19H,1-4H3,(H,30,31)