[1,1,4-tris(oxidanylidene)-2,5-diphenyl-thiophen-3-yl] 4-methylbenzoate

Systemtic Name: [1,1,4-tris(oxidanylidene)-2,5-diphenyl-thiophen-3-yl] 4-methylbenzoate Openeye Name: (1,1,4-trioxo-2,5-diphenyl-3-thienyl) 4-methylbenzoate CAS Name: 4-methylbenzoic acid (1,1,4-trioxo-2,5-diphenyl-3-thiophenyl) ester IUPAC Name: (1,1,4-trioxo-2,5-diphenylthiophen-3-yl) 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (1,1,4-triketo-2,5-diphenyl-3-thienyl) ester Formula: C24H18O5S MolecularWeight: 418.46172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(S(=O)(=O)C(C2=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(S(=O)(=O)C(C2=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H18O5S/c1-16-12-14-19(15-13-16)24(26)29-21-20(25)22(17-8-4-2-5-9-17)30(27,28)23(21)18-10-6-3-7-11-18/h2-15,22H,1H3