1-(2-ethylhexylamino)-4-(3-methylbutylamino)anthracene-9,10-dione

Systemtic Name: 1-(2-ethylhexylamino)-4-(3-methylbutylamino)anthracene-9,10-dione Openeye Name: 1-(2-ethylhexylamino)-4-(isopentylamino)anthracene-9,10-dione CAS Name: 1-(2-ethylhexylamino)-4-(3-methylbutylamino)anthracene-9,10-dione IUPAC Name: 1-(2-ethylhexylamino)-4-(3-methylbutylamino)anthracene-9,10-dione Traditional Name: 1-(2-ethylhexylamino)-4-(isoamylamino)-9,10-anthraquinone Formula: C27H36N2O2 MolecularWeight: 420.58694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC1=C2C(=C(C=C1)NCCC(C)C)C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCC(CC)CNC1=C2C(=C(C=C1)NCCC(C)C)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C27H36N2O2/c1-5-7-10-19(6-2)17-29-23-14-13-22(28-16-15-18(3)4)24-25(23)27(31)21-12-9-8-11-20(21)26(24)30/h8-9,11-14,18-19,28-29H,5-7,10,15-17H2,1-4H3