(3,5-dimethylphenyl) 4-butoxybenzenesulfonate

Systemtic Name: (3,5-dimethylphenyl) 4-butoxybenzenesulfonate Openeye Name: (3,5-dimethylphenyl) 4-butoxybenzenesulfonate CAS Name: 4-butoxybenzenesulfonic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 4-butoxybenzenesulfonate Traditional Name: 4-butoxybenzenesulfonic acid (3,5-dimethylphenyl) ester Formula: C18H22O4S MolecularWeight: 334.42988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C18H22O4S/c1-4-5-10-21-16-6-8-18(9-7-16)23(19,20)22-17-12-14(2)11-15(3)13-17/h6-9,11-13H,4-5,10H2,1-3H3