8-azanyl-5-bromanyl-9,10-bis(oxidanylidene)anthracene-1,7-disulfonic acid

Systemtic Name: 8-azanyl-5-bromanyl-9,10-bis(oxidanylidene)anthracene-1,7-disulfonic acid Openeye Name: 8-amino-5-bromo-9,10-dioxo-anthracene-1,7-disulfonic acid CAS Name: 8-amino-5-bromo-9,10-dioxoanthracene-1,7-disulfonic acid IUPAC Name: 8-amino-5-bromo-9,10-dioxoanthracene-1,7-disulfonic acid Traditional Name: 8-amino-5-bromo-9,10-diketo-anthracene-1,7-disulfonic acid Formula: C14H8BrNO8S2 MolecularWeight: 462.24922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S(=O)(=O)O)C(=O)C3=C(C(=CC(=C3C2=O)Br)S(=O)(=O)O)N

Isomeric SMILES

C1=CC2=C(C(=C1)S(=O)(=O)O)C(=O)C3=C(C(=CC(=C3C2=O)Br)S(=O)(=O)O)N

InChI

InChI=1S/C14H8BrNO8S2/c15-6-4-8(26(22,23)24)12(16)11-10(6)13(17)5-2-1-3-7(25(19,20)21)9(5)14(11)18/h1-4H,16H2,(H,19,20,21)(H,22,23,24)