4-[2-[7-methoxy-2,2-dimethyl-4-(4-methylphenyl)thiochromen-6-yl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[7-methoxy-2,2-dimethyl-4-(4-methylphenyl)thiochromen-6-yl]ethynyl]benzoic acid Openeye Name: 4-[2-[7-methoxy-2,2-dimethyl-4-(p-tolyl)thiochromen-6-yl]ethynyl]benzoic acid CAS Name: 4-[2-[7-methoxy-2,2-dimethyl-4-(4-methylphenyl)-1-benzothiopyran-6-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-[7-methoxy-2,2-dimethyl-4-(4-methylphenyl)thiochromen-6-yl]ethynyl]benzoic acid Traditional Name: 4-[2-[7-methoxy-2,2-dimethyl-4-(p-tolyl)thiochromen-6-yl]ethynyl]benzoic acid Formula: C28H24O3S MolecularWeight: 440.55336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(SC3=C2C=C(C(=C3)OC)C#CC4=CC=C(C=C4)C(=O)O)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(SC3=C2C=C(C(=C3)OC)C#CC4=CC=C(C=C4)C(=O)O)(C)C

InChI

InChI=1S/C28H24O3S/c1-18-5-10-20(11-6-18)24-17-28(2,3)32-26-16-25(31-4)22(15-23(24)26)14-9-19-7-12-21(13-8-19)27(29)30/h5-8,10-13,15-17H,1-4H3,(H,29,30)