2-[6-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]hexyl]propanedioic acid

Systemtic Name: 2-[6-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]hexyl]propanedioic acid Openeye Name: 2-[6-[(9,10-dioxo-1-anthryl)amino]hexyl]propanedioic acid CAS Name: 2-[6-[(9,10-dioxo-1-anthracenyl)amino]hexyl]propanedioic acid IUPAC Name: 2-[6-[(9,10-dioxoanthracen-1-yl)amino]hexyl]propanedioic acid Traditional Name: 2-[6-[(9,10-diketo-1-anthryl)amino]hexyl]malonic acid Formula: C23H23NO6 MolecularWeight: 409.43182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NCCCCCCC(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NCCCCCCC(C(=O)O)C(=O)O

InChI

InChI=1S/C23H23NO6/c25-20-14-8-4-5-9-15(14)21(26)19-16(20)11-7-12-18(19)24-13-6-2-1-3-10-17(22(27)28)23(29)30/h4-5,7-9,11-12,17,24H,1-3,6,10,13H2,(H,27,28)(H,29,30)