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

Systemtic Name: 1,4-bis(octadecylamino)anthracene-9,10-dione Openeye Name: 1,4-bis(octadecylamino)anthracene-9,10-dione CAS Name: 1,4-bis(octadecylamino)anthracene-9,10-dione IUPAC Name: 1,4-bis(octadecylamino)anthracene-9,10-dione Traditional Name: 1,4-bis(stearylamino)-9,10-anthraquinone Formula: C50H82N2O2 MolecularWeight: 743.19828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=C2C(=C(C=C1)NCCCCCCCCCCCCCCCCCC)C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=C2C(=C(C=C1)NCCCCCCCCCCCCCCCCCC)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C50H82N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-41-51-45-39-40-46(48-47(45)49(53)43-37-33-34-38-44(43)50(48)54)52-42-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-40,51-52H,3-32,35-36,41-42H2,1-2H3