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

Systemtic Name: dimethyl 1,4,6,13-tetrabutyl-8,9,10,11-tetraethyl-pentacene-2,3-dicarboxylate Openeye Name: dimethyl 1,4,6,13-tetrabutyl-8,9,10,11-tetraethyl-pentacene-2,3-dicarboxylate CAS Name: 1,4,6,13-tetrabutyl-8,9,10,11-tetraethylpentacene-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1,4,6,13-tetrabutyl-8,9,10,11-tetraethylpentacene-2,3-dicarboxylate Traditional Name: 1,4,6,13-tetrabutyl-8,9,10,11-tetraethyl-pentacene-2,3-dicarboxylic acid dimethyl ester Formula: C50H66O4 MolecularWeight: 731.05664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=C3C(=CC2=C(C4=CC5=C(C=C41)C(=C(C(=C5CCCC)C(=O)OC)C(=O)OC)CCCC)CCCC)C(=C(C(=C3CC)CC)CC)CC

Isomeric SMILES

CCCCC1=C2C=C3C(=CC2=C(C4=CC5=C(C=C41)C(=C(C(=C5CCCC)C(=O)OC)C(=O)OC)CCCC)CCCC)C(=C(C(=C3CC)CC)CC)CC

InChI

InChI=1S/C50H66O4/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/h27-30H,11-26H2,1-10H3