(2-ethanoyl-6-methoxy-3-oxidanyl-5-phenylmethoxy-phenyl) 4-methylbenzenesulfonate

Systemtic Name: (2-ethanoyl-6-methoxy-3-oxidanyl-5-phenylmethoxy-phenyl) 4-methylbenzenesulfonate Openeye Name: (2-acetyl-5-benzyloxy-3-hydroxy-6-methoxy-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-acetyl-3-hydroxy-6-methoxy-5-phenylmethoxyphenyl) ester IUPAC Name: (2-acetyl-3-hydroxy-6-methoxy-5-phenylmethoxyphenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-acetyl-5-benzoxy-3-hydroxy-6-methoxy-phenyl) ester Formula: C23H22O7S MolecularWeight: 442.48158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=CC(=C2OC)OCC3=CC=CC=C3)O)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=CC(=C2OC)OCC3=CC=CC=C3)O)C(=O)C

InChI

InChI=1S/C23H22O7S/c1-15-9-11-18(12-10-15)31(26,27)30-23-21(16(2)24)19(25)13-20(22(23)28-3)29-14-17-7-5-4-6-8-17/h4-13,25H,14H2,1-3H3