2-acetamido-3-[4,5-diacetyloxy-9,10-bis(oxidanylidene)anthracen-2-yl]propanoic acid

Systemtic Name: 2-acetamido-3-[4,5-diacetyloxy-9,10-bis(oxidanylidene)anthracen-2-yl]propanoic acid Openeye Name: 2-acetamido-3-(4,5-diacetoxy-9,10-dioxo-2-anthryl)propanoic acid CAS Name: 2-acetamido-3-(4,5-diacetyloxy-9,10-dioxo-2-anthracenyl)propanoic acid IUPAC Name: 2-acetamido-3-(4,5-diacetyloxy-9,10-dioxoanthracen-2-yl)propanoic acid Traditional Name: 2-acetamido-3-(4,5-diacetoxy-9,10-diketo-2-anthryl)propionic acid Formula: C23H19NO9 MolecularWeight: 453.39826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)OC(=O)C)OC(=O)C)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CC(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)OC(=O)C)OC(=O)C)C(=O)O

InChI

InChI=1S/C23H19NO9/c1-10(25)24-16(23(30)31)8-13-7-15-20(18(9-13)33-12(3)27)22(29)19-14(21(15)28)5-4-6-17(19)32-11(2)26/h4-7,9,16H,8H2,1-3H3,(H,24,25)(H,30,31)