1,4-bis(hexadecylamino)anthracene-9,10-dione

Systemtic Name: 1,4-bis(hexadecylamino)anthracene-9,10-dione Openeye Name: 1,4-bis(hexadecylamino)anthracene-9,10-dione CAS Name: 1,4-bis(hexadecylamino)anthracene-9,10-dione IUPAC Name: 1,4-bis(hexadecylamino)anthracene-9,10-dione Traditional Name: 1,4-bis(cetylamino)-9,10-anthraquinone Formula: C46H74N2O2 MolecularWeight: 687.09196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C2C(=C(C=C1)NCCCCCCCCCCCCCCCC)C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C2C(=C(C=C1)NCCCCCCCCCCCCCCCC)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C46H74N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-37-47-41-35-36-42(44-43(41)45(49)39-33-29-30-34-40(39)46(44)50)48-38-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,33-36,47-48H,3-28,31-32,37-38H2,1-2H3