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

Systemtic Name: 4-[2-[4-(4-tert-butylphenyl)-2,2-dimethyl-thiochromen-6-yl]ethynyl]benzoic acid Openeye Name: 4-[2-[4-(4-tert-butylphenyl)-2,2-dimethyl-thiochromen-6-yl]ethynyl]benzoic acid CAS Name: 4-[2-[4-(4-tert-butylphenyl)-2,2-dimethyl-1-benzothiopyran-6-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-[4-(4-tert-butylphenyl)-2,2-dimethylthiochromen-6-yl]ethynyl]benzoic acid Traditional Name: 4-[2-[4-(4-tert-butylphenyl)-2,2-dimethyl-thiochromen-6-yl]ethynyl]benzoic acid Formula: C30H28O2S MolecularWeight: 452.60712

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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(C=C4)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(C=C4)C(C)(C)C)C

InChI

InChI=1S/C30H28O2S/c1-29(2,3)24-15-13-22(14-16-24)26-19-30(4,5)33-27-17-10-21(18-25(26)27)7-6-20-8-11-23(12-9-20)28(31)32/h8-19H,1-5H3,(H,31,32)