2-methylpropyl 4-methyl-2-(3-phenoxyphenyl)benzenesulfonate

Systemtic Name: 2-methylpropyl 4-methyl-2-(3-phenoxyphenyl)benzenesulfonate Openeye Name: isobutyl 4-methyl-2-(3-phenoxyphenyl)benzenesulfonate CAS Name: 4-methyl-2-(3-phenoxyphenyl)benzenesulfonic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-methyl-2-(3-phenoxyphenyl)benzenesulfonate Traditional Name: 4-methyl-2-(3-phenoxyphenyl)benzenesulfonic acid isobutyl ester Formula: C23H24O4S MolecularWeight: 396.49926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)OCC(C)C)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)OCC(C)C)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C23H24O4S/c1-17(2)16-26-28(24,25)23-13-12-18(3)14-22(23)19-8-7-11-21(15-19)27-20-9-5-4-6-10-20/h4-15,17H,16H2,1-3H3