4,5-dimethyl-5-(2-oxidanylideneethyl)-6-(2-phenylmethoxyphenyl)cyclohexa-1,3-diene-1-sulfonate

Systemtic Name: 4,5-dimethyl-5-(2-oxidanylideneethyl)-6-(2-phenylmethoxyphenyl)cyclohexa-1,3-diene-1-sulfonate Openeye Name: 6-(2-benzyloxyphenyl)-4,5-dimethyl-5-(2-oxoethyl)cyclohexa-1,3-diene-1-sulfonate CAS Name: 4,5-dimethyl-5-(2-oxoethyl)-6-(2-phenylmethoxyphenyl)-1-cyclohexa-1,3-dienesulfonate IUPAC Name: 4,5-dimethyl-5-(2-oxoethyl)-6-(2-phenylmethoxyphenyl)cyclohexa-1,3-diene-1-sulfonate Traditional Name: 6-(2-benzoxyphenyl)-5-(2-ketoethyl)-4,5-dimethyl-cyclohexa-1,3-diene-1-sulfonate Formula: C23H23O5S- MolecularWeight: 411.49072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(C1(C)CC=O)C2=CC=CC=C2OCC3=CC=CC=C3)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C(C1(C)CC=O)C2=CC=CC=C2OCC3=CC=CC=C3)S(=O)(=O)[O-]

InChI

InChI=1S/C23H24O5S/c1-17-12-13-21(29(25,26)27)22(23(17,2)14-15-24)19-10-6-7-11-20(19)28-16-18-8-4-3-5-9-18/h3-13,15,22H,14,16H2,1-2H3,(H,25,26,27)/p-1