3,14-bis(bromanyl)-1,6,11,16-tetrakis(2-butoxyethoxy)-4,13-bis(methoxymethoxy)hexahelicene

Systemtic Name: 3,14-bis(bromanyl)-1,6,11,16-tetrakis(2-butoxyethoxy)-4,13-bis(methoxymethoxy)hexahelicene Openeye Name: 3,14-dibromo-1,6,11,16-tetrakis(2-butoxyethoxy)-4,13-bis(methoxymethoxy)hexahelicene CAS Name: 3,14-dibromo-1,6,11,16-tetrakis(2-butoxyethoxy)-4,13-bis(methoxymethoxy)hexahelicene IUPAC Name: 3,14-dibromo-1,6,11,16-tetrakis(2-butoxyethoxy)-4,13-bis(methoxymethoxy)hexahelicene Traditional Name: 3,14-dibromo-1,6,11,16-tetrakis(2-butoxyethoxy)-4,13-bis(methoxymethoxy)hexahelicene Formula: C54H70Br2O12 MolecularWeight: 1070.9344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC(=C(C2=CC(=C3C=CC4=C(C3=C21)C5=C6C(=CC(=C5C=C4)OCCOCCCC)C(=C(C=C6OCCOCCCC)Br)OCOC)OCCOCCCC)OCOC)Br

Isomeric SMILES

CCCCOCCOC1=CC(=C(C2=CC(=C3C=CC4=C(C3=C21)C5=C6C(=CC(=C5C=C4)OCCOCCCC)C(=C(C=C6OCCOCCCC)Br)OCOC)OCCOCCCC)OCOC)Br

InChI

InChI=1S/C54H70Br2O12/c1-7-11-19-59-23-27-63-44-31-40-49(46(65-29-25-61-21-13-9-3)33-42(55)53(40)67-35-57-5)51-38(44)17-15-37-16-18-39-45(64-28-24-60-20-12-8-2)32-41-50(52(39)48(37)51)47(66-30-26-62-22-14-10-4)34-43(56)54(41)68-36-58-6/h15-18,31-34H,7-14,19-30,35-36H2,1-6H3