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

Systemtic Name: 4-bromanyl-9,10-bis(oxidanylidene)-1-(propylamino)anthracene-2-sulfonic acid Openeye Name: 4-bromo-9,10-dioxo-1-(propylamino)anthracene-2-sulfonic acid CAS Name: 4-bromo-9,10-dioxo-1-(propylamino)-2-anthracenesulfonic acid IUPAC Name: 4-bromo-9,10-dioxo-1-(propylamino)anthracene-2-sulfonic acid Traditional Name: 4-bromo-9,10-diketo-1-(propylamino)anthracene-2-sulfonic acid Formula: C17H14BrNO5S MolecularWeight: 424.26576

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C2C(=C(C=C1S(=O)(=O)O)Br)C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCNC1=C2C(=C(C=C1S(=O)(=O)O)Br)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H14BrNO5S/c1-2-7-19-15-12(25(22,23)24)8-11(18)13-14(15)17(21)10-6-4-3-5-9(10)16(13)20/h3-6,8,19H,2,7H2,1H3,(H,22,23,24)