5-acetamido-1-azanyl-4-bromanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 5-acetamido-1-azanyl-4-bromanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 5-acetamido-1-amino-4-bromo-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 5-acetamido-1-amino-4-bromo-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 5-acetamido-1-amino-4-bromo-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 5-acetamido-1-amino-4-bromo-9,10-diketo-anthracene-2-sulfonic acid Formula: C16H11BrN2O6S MolecularWeight: 439.23734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC2=C1C(=O)C3=C(C=C(C(=C3C2=O)N)S(=O)(=O)O)Br

Isomeric SMILES

CC(=O)NC1=CC=CC2=C1C(=O)C3=C(C=C(C(=C3C2=O)N)S(=O)(=O)O)Br

InChI

InChI=1S/C16H11BrN2O6S/c1-6(20)19-9-4-2-3-7-11(9)16(22)12-8(17)5-10(26(23,24)25)14(18)13(12)15(7)21/h2-5H,18H2,1H3,(H,19,20)(H,23,24,25)