4-azanyl-6-[3,3-bis(bromanyl)propanoylamino]benzene-1,3-disulfonic acid

Systemtic Name: 4-azanyl-6-[3,3-bis(bromanyl)propanoylamino]benzene-1,3-disulfonic acid Openeye Name: 4-amino-6-(3,3-dibromopropanoylamino)benzene-1,3-disulfonic acid CAS Name: 4-amino-6-[(3,3-dibromo-1-oxopropyl)amino]benzene-1,3-disulfonic acid IUPAC Name: 4-amino-6-(3,3-dibromopropanoylamino)benzene-1,3-disulfonic acid Traditional Name: 4-amino-6-(3,3-dibromopropanoylamino)benzene-1,3-disulfonic acid Formula: C9H10Br2N2O7S2 MolecularWeight: 482.1229

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1NC(=O)CC(Br)Br)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=C(C(=CC(=C1NC(=O)CC(Br)Br)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C9H10Br2N2O7S2/c10-8(11)3-9(14)13-5-1-4(12)6(21(15,16)17)2-7(5)22(18,19)20/h1-2,8H,3,12H2,(H,13,14)(H,15,16,17)(H,18,19,20)