6,13-bis(bromanyl)-2,3,9,10-tetrahexyl-pentacene

Systemtic Name: 6,13-bis(bromanyl)-2,3,9,10-tetrahexyl-pentacene Openeye Name: 6,13-dibromo-2,3,9,10-tetrahexyl-pentacene CAS Name: 6,13-dibromo-2,3,9,10-tetrahexylpentacene IUPAC Name: 6,13-dibromo-2,3,9,10-tetrahexylpentacene Traditional Name: 6,13-dibromo-2,3,9,10-tetrahexyl-pentacene Formula: C46H60Br2 MolecularWeight: 772.7766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=CC3=C(C=C2C=C1CCCCCC)C(=C4C=C5C=C(C(=CC5=CC4=C3Br)CCCCCC)CCCCCC)Br

Isomeric SMILES

CCCCCCC1=CC2=CC3=C(C=C2C=C1CCCCCC)C(=C4C=C5C=C(C(=CC5=CC4=C3Br)CCCCCC)CCCCCC)Br

InChI

InChI=1S/C46H60Br2/c1-5-9-13-17-21-33-25-37-29-41-42(30-38(37)26-34(33)22-18-14-10-6-2)46(48)44-32-40-28-36(24-20-16-12-8-4)35(23-19-15-11-7-3)27-39(40)31-43(44)45(41)47/h25-32H,5-24H2,1-4H3