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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C2C(=C(C=C1)NCC(CC)CCCC)C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCNC1=C2C(=C(C=C1)NCC(CC)CCCC)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C27H36N2O2/c1-4-7-11-17-28-22-15-16-23(29-18-19(6-3)12-8-5-2)25-24(22)26(30)20-13-9-10-14-21(20)27(25)31/h9-10,13-16,19,28-29H,4-8,11-12,17-18H2,1-3H3