4,5-bis(azanyl)-2,7-didodecyl-1,8-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: 4,5-bis(azanyl)-2,7-didodecyl-1,8-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 4,5-diamino-2,7-didodecyl-1,8-dihydroxy-anthracene-9,10-dione CAS Name: 4,5-diamino-2,7-didodecyl-1,8-dihydroxyanthracene-9,10-dione IUPAC Name: 4,5-diamino-2,7-didodecyl-1,8-dihydroxyanthracene-9,10-dione Traditional Name: 4,5-diamino-1,8-dihydroxy-2,7-dilauryl-9,10-anthraquinone Formula: C38H58N2O4 MolecularWeight: 606.87812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=C2C(=C1O)C(=O)C3=C(C(=CC(=C3C2=O)N)CCCCCCCCCCCC)O)N

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=C2C(=C1O)C(=O)C3=C(C(=CC(=C3C2=O)N)CCCCCCCCCCCC)O)N

InChI

InChI=1S/C38H58N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-27-25-29(39)31-33(35(27)41)38(44)34-32(37(31)43)30(40)26-28(36(34)42)24-22-20-18-16-14-12-10-8-6-4-2/h25-26,41-42H,3-24,39-40H2,1-2H3