2,3,8,9-tetradodecyl-6,11-bis(oxidanyl)tetracene-5,12-dione

Systemtic Name: 2,3,8,9-tetradodecyl-6,11-bis(oxidanyl)tetracene-5,12-dione Openeye Name: 2,3,8,9-tetradodecyl-6,11-dihydroxy-tetracene-5,12-dione CAS Name: 2,3,8,9-tetradodecyl-6,11-dihydroxytetracene-5,12-dione IUPAC Name: 2,3,8,9-tetradodecyl-6,11-dihydroxytetracene-5,12-dione Traditional Name: 6,11-dihydroxy-2,3,8,9-tetralauryl-tetracene-5,12-quinone Formula: C66H106O4 MolecularWeight: 963.54544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C=C2C(=C1)C(=C3C(=C2O)C(=O)C4=CC(=C(C=C4C3=O)CCCCCCCCCCCC)CCCCCCCCCCCC)O)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=C(C=C2C(=C1)C(=C3C(=C2O)C(=O)C4=CC(=C(C=C4C3=O)CCCCCCCCCCCC)CCCCCCCCCCCC)O)CCCCCCCCCCCC

InChI

InChI=1S/C66H106O4/c1-5-9-13-17-21-25-29-33-37-41-45-53-49-57-58(50-54(53)46-42-38-34-30-26-22-18-14-10-6-2)64(68)62-61(63(57)67)65(69)59-51-55(47-43-39-35-31-27-23-19-15-11-7-3)56(52-60(59)66(62)70)48-44-40-36-32-28-24-20-16-12-8-4/h49-52,67-68H,5-48H2,1-4H3