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

Systemtic Name: sodium 1-azanyl-4-[(4-bromophenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-(4-bromoanilino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-(4-bromoanilino)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-(4-bromoanilino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-4-(4-bromoanilino)-9,10-diketo-anthracene-2-sulfonate Formula: C20H12BrN2NaO5S MolecularWeight: 495.27845

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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.[Na+]

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.[Na+]

InChI

InChI=1S/C20H13BrN2O5S.Na/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);/q;+1/p-1