3-[2,3-bis(bromanyl)propanoylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 3-[2,3-bis(bromanyl)propanoylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 3-(2,3-dibromopropanoylamino)-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 3-[(2,3-dibromo-1-oxopropyl)amino]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 3-(2,3-dibromopropanoylamino)-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 3-(2,3-dibromopropanoylamino)-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C13H11Br2NO8S2 MolecularWeight: 533.16634

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C=C(C2=CC(=C1S(=O)(=O)O)NC(=O)C(CBr)Br)O)S(=O)(=O)O

Isomeric SMILES

C1=C2C=C(C=C(C2=CC(=C1S(=O)(=O)O)NC(=O)C(CBr)Br)O)S(=O)(=O)O

InChI

InChI=1S/C13H11Br2NO8S2/c14-5-9(15)13(18)16-10-4-8-6(2-12(10)26(22,23)24)1-7(3-11(8)17)25(19,20)21/h1-4,9,17H,5H2,(H,16,18)(H,19,20,21)(H,22,23,24)