tetramethyl 1,4,8,11-tetraphenylpentacene-2,3,9,10-tetracarboxylate

Systemtic Name: tetramethyl 1,4,8,11-tetraphenylpentacene-2,3,9,10-tetracarboxylate Openeye Name: tetramethyl 1,4,8,11-tetraphenylpentacene-2,3,9,10-tetracarboxylate CAS Name: 1,4,8,11-tetraphenylpentacene-2,3,9,10-tetracarboxylic acid tetramethyl ester IUPAC Name: tetramethyl 1,4,8,11-tetraphenylpentacene-2,3,9,10-tetracarboxylate Traditional Name: 1,4,8,11-tetraphenylpentacene-2,3,9,10-tetracarboxylic acid tetramethyl ester Formula: C54H38O8 MolecularWeight: 814.87472

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC3=CC4=CC5=C(C=C4C=C3C=C2C(=C1C(=O)OC)C6=CC=CC=C6)C(=C(C(=C5C7=CC=CC=C7)C(=O)OC)C(=O)OC)C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

COC(=O)C1=C(C2=CC3=CC4=CC5=C(C=C4C=C3C=C2C(=C1C(=O)OC)C6=CC=CC=C6)C(=C(C(=C5C7=CC=CC=C7)C(=O)OC)C(=O)OC)C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C54H38O8/c1-59-51(55)47-43(31-17-9-5-10-18-31)39-27-35-25-37-29-41-42(30-38(37)26-36(35)28-40(39)44(48(47)52(56)60-2)32-19-11-6-12-20-32)46(34-23-15-8-16-24-34)50(54(58)62-4)49(53(57)61-3)45(41)33-21-13-7-14-22-33/h5-30H,1-4H3