4-[2,2-dimethyl-4-(4-methylphenyl)benzo[g]thiochromen-7-yl]benzoic acid

Systemtic Name: 4-[2,2-dimethyl-4-(4-methylphenyl)benzo[g]thiochromen-7-yl]benzoic acid Openeye Name: 4-[2,2-dimethyl-4-(p-tolyl)benzo[g]thiochromen-7-yl]benzoic acid CAS Name: 4-[2,2-dimethyl-4-(4-methylphenyl)-7-benzo[g]thiochromenyl]benzoic acid IUPAC Name: 4-[2,2-dimethyl-4-(4-methylphenyl)benzo[g]thiochromen-7-yl]benzoic acid Traditional Name: 4-[2,2-dimethyl-4-(p-tolyl)benzo[g]thiochromen-7-yl]benzoic acid Formula: C29H24O2S MolecularWeight: 436.56466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(SC3=C2C=C4C=C(C=CC4=C3)C5=CC=C(C=C5)C(=O)O)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(SC3=C2C=C4C=C(C=CC4=C3)C5=CC=C(C=C5)C(=O)O)(C)C

InChI

InChI=1S/C29H24O2S/c1-18-4-6-20(7-5-18)26-17-29(2,3)32-27-16-23-13-12-22(14-24(23)15-25(26)27)19-8-10-21(11-9-19)28(30)31/h4-17H,1-3H3,(H,30,31)