4-[2,2-dimethyl-4-(5-methylthiophen-2-yl)benzo[g]thiochromen-7-yl]benzoic acid

Systemtic Name: 4-[2,2-dimethyl-4-(5-methylthiophen-2-yl)benzo[g]thiochromen-7-yl]benzoic acid Openeye Name: 4-[2,2-dimethyl-4-(5-methyl-2-thienyl)benzo[g]thiochromen-7-yl]benzoic acid CAS Name: 4-[2,2-dimethyl-4-(5-methyl-2-thiophenyl)-7-benzo[g]thiochromenyl]benzoic acid IUPAC Name: 4-[2,2-dimethyl-4-(5-methylthiophen-2-yl)benzo[g]thiochromen-7-yl]benzoic acid Traditional Name: 4-[2,2-dimethyl-4-(5-methyl-2-thienyl)benzo[g]thiochromen-7-yl]benzoic acid Formula: C27H22O2S2 MolecularWeight: 442.59238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC(SC3=C2C=C4C=C(C=CC4=C3)C5=CC=C(C=C5)C(=O)O)(C)C

Isomeric SMILES

CC1=CC=C(S1)C2=CC(SC3=C2C=C4C=C(C=CC4=C3)C5=CC=C(C=C5)C(=O)O)(C)C

InChI

InChI=1S/C27H22O2S2/c1-16-4-11-24(30-16)23-15-27(2,3)31-25-14-20-10-9-19(12-21(20)13-22(23)25)17-5-7-18(8-6-17)26(28)29/h4-15H,1-3H3,(H,28,29)