[6-(4-iodanylphenoxy)-3,5-bis(oxidanyl)-4-prop-2-enoxy-oxan-2-yl]methyl naphthalene-2-sulfonate

Systemtic Name: [6-(4-iodanylphenoxy)-3,5-bis(oxidanyl)-4-prop-2-enoxy-oxan-2-yl]methyl naphthalene-2-sulfonate Openeye Name: [4-allyloxy-3,5-dihydroxy-6-(4-iodophenoxy)tetrahydropyran-2-yl]methyl naphthalene-2-sulfonate CAS Name: 2-naphthalenesulfonic acid [3,5-dihydroxy-6-(4-iodophenoxy)-4-prop-2-enoxy-2-oxanyl]methyl ester IUPAC Name: [3,5-dihydroxy-6-(4-iodophenoxy)-4-prop-2-enoxyoxan-2-yl]methyl naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonic acid [4-allyloxy-3,5-dihydroxy-6-(4-iodophenoxy)tetrahydropyran-2-yl]methyl ester Formula: C25H25IO8S MolecularWeight: 612.43067

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1C(C(OC(C1O)OC2=CC=C(C=C2)I)COS(=O)(=O)C3=CC4=CC=CC=C4C=C3)O

Isomeric SMILES

C=CCOC1C(C(OC(C1O)OC2=CC=C(C=C2)I)COS(=O)(=O)C3=CC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C25H25IO8S/c1-2-13-31-24-22(27)21(34-25(23(24)28)33-19-10-8-18(26)9-11-19)15-32-35(29,30)20-12-7-16-5-3-4-6-17(16)14-20/h2-12,14,21-25,27-28H,1,13,15H2