2-[4-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxyphenyl]sulfonylethanoic acid

Systemtic Name: 2-[4-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxyphenyl]sulfonylethanoic acid Openeye Name: 2-[4-[(1-amino-4-hydroxy-9,10-dioxo-2-anthryl)oxy]phenyl]sulfonylacetic acid CAS Name: 2-[4-[(1-amino-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]phenyl]sulfonylacetic acid IUPAC Name: 2-[4-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxyphenyl]sulfonylacetic acid Traditional Name: 2-[4-[(1-amino-4-hydroxy-9,10-diketo-2-anthryl)oxy]phenyl]sulfonylacetic acid Formula: C22H15NO8S MolecularWeight: 453.4214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)OC4=CC=C(C=C4)S(=O)(=O)CC(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)OC4=CC=C(C=C4)S(=O)(=O)CC(=O)O)N

InChI

InChI=1S/C22H15NO8S/c23-20-16(31-11-5-7-12(8-6-11)32(29,30)10-17(25)26)9-15(24)18-19(20)22(28)14-4-2-1-3-13(14)21(18)27/h1-9,24H,10,23H2,(H,25,26)