(5-methanoyl-2-phenylmethoxy-phenyl) 4-methylcyclohexa-1,3-diene-1-sulfonate

Systemtic Name: (5-methanoyl-2-phenylmethoxy-phenyl) 4-methylcyclohexa-1,3-diene-1-sulfonate Openeye Name: (2-benzyloxy-5-formyl-phenyl) 4-methylcyclohexa-1,3-diene-1-sulfonate CAS Name: 4-methyl-1-cyclohexa-1,3-dienesulfonic acid (5-formyl-2-phenylmethoxyphenyl) ester IUPAC Name: (5-formyl-2-phenylmethoxyphenyl) 4-methylcyclohexa-1,3-diene-1-sulfonate Traditional Name: 4-methylcyclohexa-1,3-diene-1-sulfonic acid (2-benzoxy-5-formyl-phenyl) ester Formula: C21H20O5S MolecularWeight: 384.4455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(CC1)S(=O)(=O)OC2=C(C=CC(=C2)C=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(CC1)S(=O)(=O)OC2=C(C=CC(=C2)C=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H20O5S/c1-16-7-10-19(11-8-16)27(23,24)26-21-13-18(14-22)9-12-20(21)25-15-17-5-3-2-4-6-17/h2-7,9-10,12-14H,8,11,15H2,1H3