4-[5,5-dimethyl-8-(5-methylthiophen-2-yl)-6H-anthracen-1-yl]benzoic acid

Systemtic Name: 4-[5,5-dimethyl-8-(5-methylthiophen-2-yl)-6H-anthracen-1-yl]benzoic acid Openeye Name: 4-[5,5-dimethyl-8-(5-methyl-2-thienyl)-6H-anthracen-1-yl]benzoic acid CAS Name: 4-[5,5-dimethyl-8-(5-methyl-2-thiophenyl)-6H-anthracen-1-yl]benzoic acid IUPAC Name: 4-[5,5-dimethyl-8-(5-methylthiophen-2-yl)-6H-anthracen-1-yl]benzoic acid Traditional Name: 4-[5,5-dimethyl-8-(5-methyl-2-thienyl)-6H-anthracen-1-yl]benzoic acid Formula: C28H24O2S MolecularWeight: 424.55396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CCC(C3=C2C=C4C(=C3)C=CC=C4C5=CC=C(C=C5)C(=O)O)(C)C

Isomeric SMILES

CC1=CC=C(S1)C2=CCC(C3=C2C=C4C(=C3)C=CC=C4C5=CC=C(C=C5)C(=O)O)(C)C

InChI

InChI=1S/C28H24O2S/c1-17-7-12-26(31-17)22-13-14-28(2,3)25-15-20-5-4-6-21(23(20)16-24(22)25)18-8-10-19(11-9-18)27(29)30/h4-13,15-16H,14H2,1-3H3,(H,29,30)