1-azanyl-9,10-bis(oxidanylidene)-4-phenyl-3-sulfanyl-anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-9,10-bis(oxidanylidene)-4-phenyl-3-sulfanyl-anthracene-2-sulfonic acid Openeye Name: 1-amino-9,10-dioxo-4-phenyl-3-sulfanyl-anthracene-2-sulfonic acid CAS Name: 1-amino-3-mercapto-9,10-dioxo-4-phenyl-2-anthracenesulfonic acid IUPAC Name: 1-amino-9,10-dioxo-4-phenyl-3-sulfanylanthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-3-mercapto-4-phenyl-anthracene-2-sulfonic acid Formula: C20H13NO5S2 MolecularWeight: 411.45092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C(=C(C(=C2S)S(=O)(=O)O)N)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C(=C(C(=C2S)S(=O)(=O)O)N)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H13NO5S2/c21-16-15-14(17(22)11-8-4-5-9-12(11)18(15)23)13(10-6-2-1-3-7-10)19(27)20(16)28(24,25)26/h1-9,27H,21H2,(H,24,25,26)