1-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-5-[(7-oxidanylidenebenzo[a]phenalen-3-yl)amino]anthracene-9,10-dione

Systemtic Name: 1-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-5-[(7-oxidanylidenebenzo[a]phenalen-3-yl)amino]anthracene-9,10-dione Openeye Name: 1-[(9,10-dioxo-1-anthryl)amino]-5-[(7-oxobenzo[a]phenalen-3-yl)amino]anthracene-9,10-dione CAS Name: 1-[(9,10-dioxo-1-anthracenyl)amino]-5-[(7-oxo-3-benzo[a]phenalenyl)amino]anthracene-9,10-dione IUPAC Name: 1-[(9,10-dioxoanthracen-1-yl)amino]-5-[(7-oxobenzo[a]phenalen-3-yl)amino]anthracene-9,10-dione Traditional Name: 1-[(9,10-diketo-1-anthryl)amino]-5-[(7-ketobenzo[a]phenalen-3-yl)amino]-9,10-anthraquinone Formula: C45H24N2O5 MolecularWeight: 672.68246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)NC5=CC=CC6=C5C(=O)C7=C(C6=O)C(=CC=C7)NC8=CC=CC9=C8C(=O)C1=CC=CC=C1C9=O)C=CC=C4C2=O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)NC5=CC=CC6=C5C(=O)C7=C(C6=O)C(=CC=C7)NC8=CC=CC9=C8C(=O)C1=CC=CC=C1C9=O)C=CC=C4C2=O

InChI

InChI=1S/C45H24N2O5/c48-41-25-10-2-1-9-23(25)24-21-22-33(28-13-5-14-29(41)37(24)28)46-34-18-7-16-31-39(34)44(51)32-17-8-20-36(40(32)45(31)52)47-35-19-6-15-30-38(35)43(50)27-12-4-3-11-26(27)42(30)49/h1-22,46-47H