dimethyl 1,4,6,8,9,10,11,13-octaethylpentacene-2,3-dicarboxylate

Systemtic Name: dimethyl 1,4,6,8,9,10,11,13-octaethylpentacene-2,3-dicarboxylate Openeye Name: dimethyl 1,4,6,8,9,10,11,13-octaethylpentacene-2,3-dicarboxylate CAS Name: 1,4,6,8,9,10,11,13-octaethylpentacene-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1,4,6,8,9,10,11,13-octaethylpentacene-2,3-dicarboxylate Traditional Name: 1,4,6,8,9,10,11,13-octaethylpentacene-2,3-dicarboxylic acid dimethyl ester Formula: C42H50O4 MolecularWeight: 618.844

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C3C(=CC2=C(C4=CC5=C(C=C41)C(=C(C(=C5CC)C(=O)OC)C(=O)OC)CC)CC)C(=C(C(=C3CC)CC)CC)CC

Isomeric SMILES

CCC1=C2C=C3C(=CC2=C(C4=CC5=C(C=C41)C(=C(C(=C5CC)C(=O)OC)C(=O)OC)CC)CC)C(=C(C(=C3CC)CC)CC)CC

InChI

InChI=1S/C42H50O4/c1-11-23-24(12-2)26(14-4)32-20-34-28(16-6)36-22-38-30(18-8)40(42(44)46-10)39(41(43)45-9)29(17-7)37(38)21-35(36)27(15-5)33(34)19-31(32)25(23)13-3/h19-22H,11-18H2,1-10H3