2-azanyl-4-[9,10-bis(oxidanylidene)anthracen-1-yl]sulfanyl-benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[9,10-bis(oxidanylidene)anthracen-1-yl]sulfanyl-benzenesulfonic acid Openeye Name: 2-amino-4-[(9,10-dioxo-1-anthryl)sulfanyl]benzenesulfonic acid CAS Name: 2-amino-4-[(9,10-dioxo-1-anthracenyl)thio]benzenesulfonic acid IUPAC Name: 2-amino-4-(9,10-dioxoanthracen-1-yl)sulfanylbenzenesulfonic acid Traditional Name: 2-amino-4-[(9,10-diketo-1-anthryl)thio]besylic acid Formula: C20H13NO5S2 MolecularWeight: 411.45092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)SC4=CC(=C(C=C4)S(=O)(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)SC4=CC(=C(C=C4)S(=O)(=O)O)N

InChI

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