4-[3-[2,3-bis(bromanyl)propanoylamino]phenyl]carbonyl-5-oxidanyl-naphthalene-1,7-disulfonic acid

Systemtic Name: 4-[3-[2,3-bis(bromanyl)propanoylamino]phenyl]carbonyl-5-oxidanyl-naphthalene-1,7-disulfonic acid Openeye Name: 4-[3-(2,3-dibromopropanoylamino)benzoyl]-5-hydroxy-naphthalene-1,7-disulfonic acid CAS Name: 4-[[3-[(2,3-dibromo-1-oxopropyl)amino]phenyl]-oxomethyl]-5-hydroxynaphthalene-1,7-disulfonic acid IUPAC Name: 4-[3-(2,3-dibromopropanoylamino)benzoyl]-5-hydroxynaphthalene-1,7-disulfonic acid Traditional Name: 4-[3-(2,3-dibromopropanoylamino)benzoyl]-5-hydroxy-naphthalene-1,7-disulfonic acid Formula: C20H15Br2NO9S2 MolecularWeight: 637.2724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C(CBr)Br)C(=O)C2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C(CBr)Br)C(=O)C2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C20H15Br2NO9S2/c21-9-15(22)20(26)23-11-3-1-2-10(6-11)19(25)13-4-5-17(34(30,31)32)14-7-12(33(27,28)29)8-16(24)18(13)14/h1-8,15,24H,9H2,(H,23,26)(H,27,28,29)(H,30,31,32)