1-[[4-[(3-ethenylphenyl)amino]-6-[[4-methoxy-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-1,3,5-triazin-2-yl]amino]-4-methoxy-anthracene-9,10-dione

Systemtic Name: 1-[[4-[(3-ethenylphenyl)amino]-6-[[4-methoxy-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-1,3,5-triazin-2-yl]amino]-4-methoxy-anthracene-9,10-dione Openeye Name: 1-methoxy-4-[[4-[(4-methoxy-9,10-dioxo-1-anthryl)amino]-6-(3-vinylanilino)-1,3,5-triazin-2-yl]amino]anthracene-9,10-dione CAS Name: 1-[[4-(3-ethenylanilino)-6-[(4-methoxy-9,10-dioxo-1-anthracenyl)amino]-1,3,5-triazin-2-yl]amino]-4-methoxyanthracene-9,10-dione IUPAC Name: 1-[[4-(3-ethenylanilino)-6-[(4-methoxy-9,10-dioxoanthracen-1-yl)amino]-1,3,5-triazin-2-yl]amino]-4-methoxyanthracene-9,10-dione Traditional Name: 1-[[4-[(9,10-diketo-4-methoxy-1-anthryl)amino]-6-(3-vinylanilino)-s-triazin-2-yl]amino]-4-methoxy-9,10-anthraquinone Formula: C41H28N6O6 MolecularWeight: 700.69762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)NC3=NC(=NC(=N3)NC4=CC=CC(=C4)C=C)NC5=C6C(=C(C=C5)OC)C(=O)C7=CC=CC=C7C6=O)C(=O)C8=CC=CC=C8C2=O

Isomeric SMILES

COC1=C2C(=C(C=C1)NC3=NC(=NC(=N3)NC4=CC=CC(=C4)C=C)NC5=C6C(=C(C=C5)OC)C(=O)C7=CC=CC=C7C6=O)C(=O)C8=CC=CC=C8C2=O

InChI

InChI=1S/C41H28N6O6/c1-4-21-10-9-11-22(20-21)42-39-45-40(43-27-16-18-29(52-2)33-31(27)35(48)23-12-5-7-14-25(23)37(33)50)47-41(46-39)44-28-17-19-30(53-3)34-32(28)36(49)24-13-6-8-15-26(24)38(34)51/h4-20H,1H2,2-3H3,(H3,42,43,44,45,46,47)