7-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxynaphthalene-1-sulfonic acid

Systemtic Name: 7-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxynaphthalene-1-sulfonic acid Openeye Name: 7-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxynaphthalene-1-sulfonic acid CAS Name: 7-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-naphthalenesulfonic acid IUPAC Name: 7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalene-1-sulfonic acid Traditional Name: 7-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxynaphthalene-1-sulfonic acid Formula: C16H18O9S MolecularWeight: 386.37372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)C(=C1)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)C(=C1)S(=O)(=O)O

InChI

InChI=1S/C16H18O9S/c17-7-11-13(18)14(19)15(20)16(25-11)24-9-5-4-8-2-1-3-12(10(8)6-9)26(21,22)23/h1-6,11,13-20H,7H2,(H,21,22,23)