phenyl 2,3,4,5,6-pentamethylbenzenesulfonate

Systemtic Name: phenyl 2,3,4,5,6-pentamethylbenzenesulfonate Openeye Name: phenyl 2,3,4,5,6-pentamethylbenzenesulfonate CAS Name: 2,3,4,5,6-pentamethylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 2,3,4,5,6-pentamethylbenzenesulfonate Traditional Name: 2,3,4,5,6-pentamethylbenzenesulfonic acid phenyl ester Formula: C17H20O3S MolecularWeight: 304.4039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)OC2=CC=CC=C2)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)OC2=CC=CC=C2)C)C

InChI

InChI=1S/C17H20O3S/c1-11-12(2)14(4)17(15(5)13(11)3)21(18,19)20-16-9-7-6-8-10-16/h6-10H,1-5H3