(2-methyl-4-oxidanyl-3-phenylmethoxy-phenyl) 4-methylbenzenesulfonate

Systemtic Name: (2-methyl-4-oxidanyl-3-phenylmethoxy-phenyl) 4-methylbenzenesulfonate Openeye Name: (3-benzyloxy-4-hydroxy-2-methyl-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-hydroxy-2-methyl-3-phenylmethoxyphenyl) ester IUPAC Name: (4-hydroxy-2-methyl-3-phenylmethoxyphenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-benzoxy-4-hydroxy-2-methyl-phenyl) ester Formula: C21H20O5S MolecularWeight: 384.4455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C=C2)O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C=C2)O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C21H20O5S/c1-15-8-10-18(11-9-15)27(23,24)26-20-13-12-19(22)21(16(20)2)25-14-17-6-4-3-5-7-17/h3-13,22H,14H2,1-2H3