(4aR,9aS)-1-azaniumyl-4,9,10-tris(oxidanylidene)-4a,9a-dihydro-3H-anthracene-2-sulfonate

Systemtic Name: (4aR,9aS)-1-azaniumyl-4,9,10-tris(oxidanylidene)-4a,9a-dihydro-3H-anthracene-2-sulfonate Openeye Name: (4aR,9aS)-1-azaniumyl-4,9,10-trioxo-4a,9a-dihydro-3H-anthracene-2-sulfonate CAS Name: (4aR,9aS)-1-ammonio-4,9,10-trioxo-4a,9a-dihydro-3H-anthracene-2-sulfonate IUPAC Name: (4aR,9aS)-1-azaniumyl-4,9,10-trioxo-4a,9a-dihydro-3H-anthracene-2-sulfonate Traditional Name: (4aR,9aS)-1-ammonio-4,9,10-triketo-4a,9a-dihydro-3H-anthracene-2-sulfonate Formula: C14H11NO6S MolecularWeight: 321.30524

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C2C(C(=C1S(=O)(=O)[O-])[NH3+])C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1C(=O)[C@H]2[C@@H](C(=C1S(=O)(=O)[O-])[NH3+])C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C14H11NO6S/c15-12-9(22(19,20)21)5-8(16)10-11(12)14(18)7-4-2-1-3-6(7)13(10)17/h1-4,10-11H,5,15H2,(H,19,20,21)/t10-,11-/m0/s1