[2-(4-ethoxyphenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl naphthalene-2-sulfonate

Systemtic Name: [2-(4-ethoxyphenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl naphthalene-2-sulfonate Openeye Name: [2-(4-ethoxyphenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl naphthalene-2-sulfonate CAS Name: 2-naphthalenesulfonic acid [2-(4-ethoxyphenyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methyl ester IUPAC Name: [2-(4-ethoxyphenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonic acid [2-(imidazol-1-ylmethyl)-2-p-phenetyl-1,3-dioxolan-4-yl]methyl ester Formula: C26H26N2O6S MolecularWeight: 494.55944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2(OCC(O2)COS(=O)(=O)C3=CC4=CC=CC=C4C=C3)CN5C=CN=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)C2(OCC(O2)COS(=O)(=O)C3=CC4=CC=CC=C4C=C3)CN5C=CN=C5

InChI

InChI=1S/C26H26N2O6S/c1-2-31-23-10-8-22(9-11-23)26(18-28-14-13-27-19-28)32-16-24(34-26)17-33-35(29,30)25-12-7-20-5-3-4-6-21(20)15-25/h3-15,19,24H,2,16-18H2,1H3