1,4-bis[[2-oxidanyl-3-[(3,4,5-trimethoxyphenyl)methylamino]propyl]amino]anthracene-9,10-dione

Systemtic Name: 1,4-bis[[2-oxidanyl-3-[(3,4,5-trimethoxyphenyl)methylamino]propyl]amino]anthracene-9,10-dione Openeye Name: 1,4-bis[[2-hydroxy-3-[(3,4,5-trimethoxyphenyl)methylamino]propyl]amino]anthracene-9,10-dione CAS Name: 1,4-bis[[2-hydroxy-3-[(3,4,5-trimethoxyphenyl)methylamino]propyl]amino]anthracene-9,10-dione IUPAC Name: 1,4-bis[[2-hydroxy-3-[(3,4,5-trimethoxyphenyl)methylamino]propyl]amino]anthracene-9,10-dione Traditional Name: 1,4-bis[[2-hydroxy-3-[(3,4,5-trimethoxybenzyl)amino]propyl]amino]-9,10-anthraquinone Formula: C40H48N4O10 MolecularWeight: 744.82992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNCC(CNC2=C3C(=C(C=C2)NCC(CNCC4=CC(=C(C(=C4)OC)OC)OC)O)C(=O)C5=CC=CC=C5C3=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNCC(CNC2=C3C(=C(C=C2)NCC(CNCC4=CC(=C(C(=C4)OC)OC)OC)O)C(=O)C5=CC=CC=C5C3=O)O

InChI

InChI=1S/C40H48N4O10/c1-49-31-13-23(14-32(50-2)39(31)53-5)17-41-19-25(45)21-43-29-11-12-30(36-35(29)37(47)27-9-7-8-10-28(27)38(36)48)44-22-26(46)20-42-18-24-15-33(51-3)40(54-6)34(16-24)52-4/h7-16,25-26,41-46H,17-22H2,1-6H3