6-[[3-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[3-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(3-hydroxy-9,10-dioxo-2-anthryl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[(3-hydroxy-9,10-dioxo-2-anthracenyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(3-hydroxy-9,10-dioxoanthracen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(3-hydroxy-9,10-diketo-2-anthryl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C22H17NO6 MolecularWeight: 391.37348

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=C(C=C3C(=C2)C(=O)C4=CC=CC=C4C3=O)O)C(=O)O

Isomeric SMILES

C1C=CCC(C1C(=O)NC2=C(C=C3C(=C2)C(=O)C4=CC=CC=C4C3=O)O)C(=O)O

InChI

InChI=1S/C22H17NO6/c24-18-10-16-15(19(25)11-5-1-2-6-12(11)20(16)26)9-17(18)23-21(27)13-7-3-4-8-14(13)22(28)29/h1-6,9-10,13-14,24H,7-8H2,(H,23,27)(H,28,29)