(4aS,9aS)-1-azaniumyl-4-oxidanyl-9,10-bis(oxidanylidene)-4a,9a-dihydroanthracene-2-sulfonate

Systemtic Name: (4aS,9aS)-1-azaniumyl-4-oxidanyl-9,10-bis(oxidanylidene)-4a,9a-dihydroanthracene-2-sulfonate Openeye Name: (4aS,9aS)-1-azaniumyl-4-hydroxy-9,10-dioxo-4a,9a-dihydroanthracene-2-sulfonate CAS Name: (4aS,9aS)-1-ammonio-4-hydroxy-9,10-dioxo-4a,9a-dihydroanthracene-2-sulfonate IUPAC Name: (4aS,9aS)-1-azaniumyl-4-hydroxy-9,10-dioxo-4a,9a-dihydroanthracene-2-sulfonate Traditional Name: (4aS,9aS)-1-ammonio-4-hydroxy-9,10-diketo-4a,9a-dihydroanthracene-2-sulfonate Formula: C14H11NO6S MolecularWeight: 321.30524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3C(C2=O)C(=C(C=C3O)S(=O)(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)[C@H]3[C@H](C2=O)C(=C(C=C3O)S(=O)(=O)[O-])[NH3+]

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/h1-5,10-11,16H,15H2,(H,19,20,21)/t10-,11+/m1/s1