2-azanyl-4-[4-azanyl-3-bromanyl-9,10-bis(oxidanylidene)anthracen-1-yl]sulfanyl-benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[4-azanyl-3-bromanyl-9,10-bis(oxidanylidene)anthracen-1-yl]sulfanyl-benzenesulfonic acid Openeye Name: 2-amino-4-[(4-amino-3-bromo-9,10-dioxo-1-anthryl)sulfanyl]benzenesulfonic acid CAS Name: 2-amino-4-[(4-amino-3-bromo-9,10-dioxo-1-anthracenyl)thio]benzenesulfonic acid IUPAC Name: 2-amino-4-(4-amino-3-bromo-9,10-dioxoanthracen-1-yl)sulfanylbenzenesulfonic acid Traditional Name: 2-amino-4-[(4-amino-3-bromo-9,10-diketo-1-anthryl)thio]besylic acid Formula: C20H13BrN2O5S2 MolecularWeight: 505.36162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3SC4=CC(=C(C=C4)S(=O)(=O)O)N)Br)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3SC4=CC(=C(C=C4)S(=O)(=O)O)N)Br)N

InChI

InChI=1S/C20H13BrN2O5S2/c21-12-8-14(29-9-5-6-15(13(22)7-9)30(26,27)28)16-17(18(12)23)20(25)11-4-2-1-3-10(11)19(16)24/h1-8H,22-23H2,(H,26,27,28)