2-[2-[2,3-bis(bromanyl)-5-(2-methoxysulfonylphenyl)carbonyl-pyrrol-1-yl]ethyl]propanedioate

Systemtic Name: 2-[2-[2,3-bis(bromanyl)-5-(2-methoxysulfonylphenyl)carbonyl-pyrrol-1-yl]ethyl]propanedioate Openeye Name: 2-[2-[2,3-dibromo-5-(2-methoxysulfonylbenzoyl)pyrrol-1-yl]ethyl]propanedioate CAS Name: 2-[2-[2,3-dibromo-5-[(2-methoxysulfonylphenyl)-oxomethyl]-1-pyrrolyl]ethyl]propanedioate IUPAC Name: 2-[2-[2,3-dibromo-5-(2-methoxysulfonylbenzoyl)pyrrol-1-yl]ethyl]propanedioate Traditional Name: 2-[2-[2,3-dibromo-5-(2-methoxysulfonylbenzoyl)pyrrol-1-yl]ethyl]malonate Formula: C17H13Br2NO8S-2 MolecularWeight: 551.16002

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)C1=CC=CC=C1C(=O)C2=CC(=C(N2CCC(C(=O)[O-])C(=O)[O-])Br)Br

Isomeric SMILES

COS(=O)(=O)C1=CC=CC=C1C(=O)C2=CC(=C(N2CCC(C(=O)[O-])C(=O)[O-])Br)Br

InChI

InChI=1S/C17H15Br2NO8S/c1-28-29(26,27)13-5-3-2-4-9(13)14(21)12-8-11(18)15(19)20(12)7-6-10(16(22)23)17(24)25/h2-5,8,10H,6-7H2,1H3,(H,22,23)(H,24,25)/p-2