1-[[2,4,6-trimethyl-3-[(phenoxymethylamino)methyl]phenyl]amino]anthracene-9,10-dione

Systemtic Name: 1-[[2,4,6-trimethyl-3-[(phenoxymethylamino)methyl]phenyl]amino]anthracene-9,10-dione Openeye Name: 1-[2,4,6-trimethyl-3-[(phenoxymethylamino)methyl]anilino]anthracene-9,10-dione CAS Name: 1-[2,4,6-trimethyl-3-[(phenoxymethylamino)methyl]anilino]anthracene-9,10-dione IUPAC Name: 1-[2,4,6-trimethyl-3-[(phenoxymethylamino)methyl]anilino]anthracene-9,10-dione Traditional Name: 1-[2,4,6-trimethyl-3-[(phenoxymethylamino)methyl]anilino]-9,10-anthraquinone Formula: C31H28N2O3 MolecularWeight: 476.56562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1CNCOC2=CC=CC=C2)C)NC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O)C

Isomeric SMILES

CC1=CC(=C(C(=C1CNCOC2=CC=CC=C2)C)NC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O)C

InChI

InChI=1S/C31H28N2O3/c1-19-16-20(2)29(21(3)26(19)17-32-18-36-22-10-5-4-6-11-22)33-27-15-9-14-25-28(27)31(35)24-13-8-7-12-23(24)30(25)34/h4-16,32-33H,17-18H2,1-3H3