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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C=C3C(=CC2=C(C4=CC5=C(C=C41)C(=C(C(=C5CCC)C(=O)OC)C(=O)OC)CCC)CCC)C(=C(C(=C3CCC)CCC)CCC)CCC

Isomeric SMILES

CCCC1=C2C=C3C(=CC2=C(C4=CC5=C(C=C41)C(=C(C(=C5CCC)C(=O)OC)C(=O)OC)CCC)CCC)C(=C(C(=C3CCC)CCC)CCC)CCC

InChI

InChI=1S/C50H66O4/c1-11-19-31-32(20-12-2)34(22-14-4)40-28-42-36(24-16-6)44-30-46-38(26-18-8)48(50(52)54-10)47(49(51)53-9)37(25-17-7)45(46)29-43(44)35(23-15-5)41(42)27-39(40)33(31)21-13-3/h27-30H,11-26H2,1-10H3