3-[2,6-bis(oxidanyl)hexoxycarbonyl]-2-sulfo-benzoate

Systemtic Name: 3-[2,6-bis(oxidanyl)hexoxycarbonyl]-2-sulfo-benzoate Openeye Name: 3-(2,6-dihydroxyhexoxycarbonyl)-2-sulfo-benzoate CAS Name: 3-[2,6-dihydroxyhexoxy(oxo)methyl]-2-sulfobenzoate IUPAC Name: 3-(2,6-dihydroxyhexoxycarbonyl)-2-sulfobenzoate Traditional Name: 3-(2,6-dihydroxyhexoxycarbonyl)-2-sulfo-benzoate Formula: C14H17O9S- MolecularWeight: 361.34438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C(=O)OCC(CCCCO)O)S(=O)(=O)O)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1)C(=O)OCC(CCCCO)O)S(=O)(=O)O)C(=O)[O-]

InChI

InChI=1S/C14H18O9S/c15-7-2-1-4-9(16)8-23-14(19)11-6-3-5-10(13(17)18)12(11)24(20,21)22/h3,5-6,9,15-16H,1-2,4,7-8H2,(H,17,18)(H,20,21,22)/p-1