3-[2,5-bis(bromanyl)-4-(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid

Systemtic Name: 3-[2,5-bis(bromanyl)-4-(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid Openeye Name: 3-[2,5-dibromo-4-(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid CAS Name: 3-[2,5-dibromo-4-(3-sulfopropoxy)phenoxy]-1-propanesulfonic acid IUPAC Name: 3-[2,5-dibromo-4-(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid Traditional Name: 3-[2,5-dibromo-4-(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid Formula: C12H16Br2O8S2 MolecularWeight: 512.18864

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1Br)OCCCS(=O)(=O)O)Br)OCCCS(=O)(=O)O

Isomeric SMILES

C1=C(C(=CC(=C1Br)OCCCS(=O)(=O)O)Br)OCCCS(=O)(=O)O

InChI

InChI=1S/C12H16Br2O8S2/c13-9-8-12(22-4-2-6-24(18,19)20)10(14)7-11(9)21-3-1-5-23(15,16)17/h7-8H,1-6H2,(H,15,16,17)(H,18,19,20)