1,4-bis[[3,5-bis(hydroxymethyl)-4-methyl-phenyl]amino]anthracene-9,10-dione

Systemtic Name: 1,4-bis[[3,5-bis(hydroxymethyl)-4-methyl-phenyl]amino]anthracene-9,10-dione Openeye Name: 1,4-bis[3,5-bis(hydroxymethyl)-4-methyl-anilino]anthracene-9,10-dione CAS Name: 1,4-bis[3,5-bis(hydroxymethyl)-4-methylanilino]anthracene-9,10-dione IUPAC Name: 1,4-bis[3,5-bis(hydroxymethyl)-4-methylanilino]anthracene-9,10-dione Traditional Name: 1,4-bis(4-methyl-3,5-dimethylol-anilino)-9,10-anthraquinone Formula: C32H30N2O6 MolecularWeight: 538.5904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1CO)NC2=C3C(=C(C=C2)NC4=CC(=C(C(=C4)CO)C)CO)C(=O)C5=CC=CC=C5C3=O)CO

Isomeric SMILES

CC1=C(C=C(C=C1CO)NC2=C3C(=C(C=C2)NC4=CC(=C(C(=C4)CO)C)CO)C(=O)C5=CC=CC=C5C3=O)CO

InChI

InChI=1S/C32H30N2O6/c1-17-19(13-35)9-23(10-20(17)14-36)33-27-7-8-28(34-24-11-21(15-37)18(2)22(12-24)16-38)30-29(27)31(39)25-5-3-4-6-26(25)32(30)40/h3-12,33-38H,13-16H2,1-2H3