7-[[9,10-bis(oxidanylidene)anthracen-2-yl]carbonylamino]heptanoic acid

Systemtic Name: 7-[[9,10-bis(oxidanylidene)anthracen-2-yl]carbonylamino]heptanoic acid Openeye Name: 7-[(9,10-dioxoanthracene-2-carbonyl)amino]heptanoic acid CAS Name: 7-[[(9,10-dioxo-2-anthracenyl)-oxomethyl]amino]heptanoic acid IUPAC Name: 7-[(9,10-dioxoanthracene-2-carbonyl)amino]heptanoic acid Traditional Name: 7-[(9,10-diketoanthracene-2-carbonyl)amino]enanthic acid Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO5/c24-19(25)9-3-1-2-6-12-23-22(28)14-10-11-17-18(13-14)21(27)16-8-5-4-7-15(16)20(17)26/h4-5,7-8,10-11,13H,1-3,6,9,12H2,(H,23,28)(H,24,25)