1-azanyl-4-[(4-bromophenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[(4-bromophenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-(4-bromoanilino)-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-(4-bromoanilino)-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-(4-bromoanilino)-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-(4-bromoanilino)-9,10-diketo-anthracene-2-sulfonic acid Formula: C20H13BrN2O5S MolecularWeight: 473.29662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)Br)S(=O)(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)Br)S(=O)(=O)O)N

InChI

InChI=1S/C20H13BrN2O5S/c21-10-5-7-11(8-6-10)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)12-3-1-2-4-13(12)20(17)25/h1-9,23H,22H2,(H,26,27,28)