4-bromanyl-1-(ethylamino)-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 4-bromanyl-1-(ethylamino)-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 4-bromo-1-(ethylamino)-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 4-bromo-1-(ethylamino)-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 4-bromo-1-(ethylamino)-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 4-bromo-1-(ethylamino)-9,10-diketo-anthracene-2-sulfonic acid Formula: C16H12BrNO5S MolecularWeight: 410.23918

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C2C(=C(C=C1S(=O)(=O)O)Br)C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCNC1=C2C(=C(C=C1S(=O)(=O)O)Br)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H12BrNO5S/c1-2-18-14-11(24(21,22)23)7-10(17)12-13(14)16(20)9-6-4-3-5-8(9)15(12)19/h3-7,18H,2H2,1H3,(H,21,22,23)