1,4,5,8-tetradodecoxyanthracene-9,10-dione

Systemtic Name: 1,4,5,8-tetradodecoxyanthracene-9,10-dione Openeye Name: 1,4,5,8-tetradodecoxyanthracene-9,10-dione CAS Name: 1,4,5,8-tetradodecoxyanthracene-9,10-dione IUPAC Name: 1,4,5,8-tetradodecoxyanthracene-9,10-dione Traditional Name: 1,4,5,8-tetralauryloxy-9,10-anthraquinone Formula: C62H104O6 MolecularWeight: 945.48556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C2C(=C(C=C1)OCCCCCCCCCCCC)C(=O)C3=C(C=CC(=C3C2=O)OCCCCCCCCCCCC)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=C2C(=C(C=C1)OCCCCCCCCCCCC)C(=O)C3=C(C=CC(=C3C2=O)OCCCCCCCCCCCC)OCCCCCCCCCCCC

InChI

InChI=1S/C62H104O6/c1-5-9-13-17-21-25-29-33-37-41-49-65-53-45-46-54(66-50-42-38-34-30-26-22-18-14-10-6-2)58-57(53)61(63)59-55(67-51-43-39-35-31-27-23-19-15-11-7-3)47-48-56(60(59)62(58)64)68-52-44-40-36-32-28-24-20-16-12-8-4/h45-48H,5-44,49-52H2,1-4H3