1-azanyl-4-[[4-[2-(methylidene-$l^{3}-bromanyl)ethanoylamino]-2-(trioxidanylsulfanyl)phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[[4-[2-(methylidene-$l^{3}-bromanyl)ethanoylamino]-2-(trioxidanylsulfanyl)phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[4-[[2-(methylene-$l^{3}-bromanyl)acetyl]amino]-2-(trioxidanylsulfanyl)anilino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[4-[[2-(methylene-$l^{3}-bromanyl)-1-oxoethyl]amino]-2-(trioxidanylthio)anilino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[4-[[2-(methylidene-$l^{3}-bromanyl)acetyl]amino]-2-(trioxidanylsulfanyl)anilino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-4-[4-[[2-(methylene-$l^{3}-bromanyl)acetyl]amino]-2-(trioxidanylthio)anilino]anthracene-2-sulfonic acid Formula: C23H18BrN3O9S2 MolecularWeight: 624.43772

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Descriptors Computed from Structure

Canonical SMILES:

C=BrCC(=O)NC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)SOOO

Isomeric SMILES

C=BrCC(=O)NC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)SOOO

InChI

InChI=1S/C23H18BrN3O9S2/c1-24-10-18(28)26-11-6-7-14(16(8-11)37-36-35-31)27-15-9-17(38(32,33)34)21(25)20-19(15)22(29)12-4-2-3-5-13(12)23(20)30/h2-9,27,31H,1,10,25H2,(H,26,28)(H,32,33,34)