1,3-bis(2,4,6-trimethylphenyl)-2-benzothiophene-4,7-dione

Systemtic Name: 1,3-bis(2,4,6-trimethylphenyl)-2-benzothiophene-4,7-dione Openeye Name: 1,3-bis(2,4,6-trimethylphenyl)-2-benzothiophene-4,7-dione CAS Name: 1,3-bis(2,4,6-trimethylphenyl)-2-benzothiophene-4,7-dione IUPAC Name: 1,3-bis(2,4,6-trimethylphenyl)-2-benzothiophene-4,7-dione Traditional Name: 1,3-dimesitylisobenzothiophene-4,7-quinone Formula: C26H24O2S MolecularWeight: 400.53256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C(=O)C=CC(=O)C3=C(S2)C4=C(C=C(C=C4C)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C(=O)C=CC(=O)C3=C(S2)C4=C(C=C(C=C4C)C)C)C

InChI

InChI=1S/C26H24O2S/c1-13-9-15(3)21(16(4)10-13)25-23-19(27)7-8-20(28)24(23)26(29-25)22-17(5)11-14(2)12-18(22)6/h7-12H,1-6H3