dimethyl 1,4,6,13-tetrabutyl-8,9,10,11-tetraethyl-5,14-dihydropentacene-2,3-dicarboxylate

Systemtic Name: dimethyl 1,4,6,13-tetrabutyl-8,9,10,11-tetraethyl-5,14-dihydropentacene-2,3-dicarboxylate Openeye Name: dimethyl 1,4,6,13-tetrabutyl-8,9,10,11-tetraethyl-5,14-dihydropentacene-2,3-dicarboxylate CAS Name: 1,4,6,13-tetrabutyl-8,9,10,11-tetraethyl-5,14-dihydropentacene-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1,4,6,13-tetrabutyl-8,9,10,11-tetraethyl-5,14-dihydropentacene-2,3-dicarboxylate Traditional Name: 1,4,6,13-tetrabutyl-8,9,10,11-tetraethyl-5,14-dihydropentacene-2,3-dicarboxylic acid dimethyl ester Formula: C50H68O4 MolecularWeight: 733.07252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2CC3=C(C(=C(C(=C3CC2=C(C4=CC5=C(C=C41)C(=C(C(=C5CC)CC)CC)CC)CCCC)CCCC)C(=O)OC)C(=O)OC)CCCC

Isomeric SMILES

CCCCC1=C2CC3=C(C(=C(C(=C3CC2=C(C4=CC5=C(C=C41)C(=C(C(=C5CC)CC)CC)CC)CCCC)CCCC)C(=O)OC)C(=O)OC)CCCC

InChI

InChI=1S/C50H68O4/c1-11-19-23-35-41-27-39-33(17-7)31(15-5)32(16-6)34(18-8)40(39)28-42(41)36(24-20-12-2)44-30-46-38(26-22-14-4)48(50(52)54-10)47(49(51)53-9)37(25-21-13-3)45(46)29-43(35)44/h27-28H,11-26,29-30H2,1-10H3