2,9-dihexylpentacene; 1,4,8,11-tetramethylpentacene

Systemtic Name: 2,9-dihexylpentacene; 1,4,8,11-tetramethylpentacene Openeye Name: 2,9-dihexylpentacene; 1,4,8,11-tetramethylpentacene CAS Name: 2,9-dihexylpentacene; 1,4,8,11-tetramethylpentacene IUPAC Name: 2,9-dihexylpentacene; 1,4,8,11-tetramethylpentacene Traditional Name: 2,9-dihexylpentacene; 1,4,8,11-tetramethylpentacene Formula: C60H60 MolecularWeight: 781.1184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=CC3=CC4=C(C=C5C=C(C=CC5=C4)CCCCCC)C=C3C=C2C=C1.CC1=C2C=C3C=C4C=C5C(=CC=C(C5=CC4=CC3=CC2=C(C=C1)C)C)C

Isomeric SMILES

CCCCCCC1=CC2=CC3=CC4=C(C=C5C=C(C=CC5=C4)CCCCCC)C=C3C=C2C=C1.CC1=C2C=C3C=C4C=C5C(=CC=C(C5=CC4=CC3=CC2=C(C=C1)C)C)C

InChI

InChI=1S/C34H38.C26H22/c1-3-5-7-9-11-25-13-15-27-19-31-24-34-22-30-18-26(12-10-8-6-4-2)14-16-28(30)20-32(34)23-33(31)21-29(27)17-25;1-15-5-6-16(2)24-12-20-10-22-14-26-18(4)8-7-17(3)25(26)13-21(22)9-19(20)11-23(15)24/h13-24H,3-12H2,1-2H3;5-14H,1-4H3