2-[2-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-[(9,10-dioxo-1-anthryl)amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[(9,10-dioxo-1-anthracenyl)amino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-[(9,10-diketo-1-anthryl)amino]-2-keto-ethyl]thio]nicotinic acid Formula: C22H14N2O5S MolecularWeight: 418.42196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)CSC4=C(C=CC=N4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)CSC4=C(C=CC=N4)C(=O)O

InChI

InChI=1S/C22H14N2O5S/c25-17(11-30-21-15(22(28)29)8-4-10-23-21)24-16-9-3-7-14-18(16)20(27)13-6-2-1-5-12(13)19(14)26/h1-10H,11H2,(H,24,25)(H,28,29)