3-methylbutyl 4-methyl-3-oxidanyl-benzenesulfonate

Systemtic Name: 3-methylbutyl 4-methyl-3-oxidanyl-benzenesulfonate Openeye Name: isopentyl 3-hydroxy-4-methyl-benzenesulfonate CAS Name: 3-hydroxy-4-methylbenzenesulfonic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 3-hydroxy-4-methylbenzenesulfonate Traditional Name: 3-hydroxy-4-methyl-benzenesulfonic acid isoamyl ester Formula: C12H18O4S MolecularWeight: 258.33392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OCCC(C)C)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OCCC(C)C)O

InChI

InChI=1S/C12H18O4S/c1-9(2)6-7-16-17(14,15)11-5-4-10(3)12(13)8-11/h4-5,8-9,13H,6-7H2,1-3H3