5-methylheptyl 4-methyl-3-oxidanyl-benzenesulfonate

Systemtic Name: 5-methylheptyl 4-methyl-3-oxidanyl-benzenesulfonate Openeye Name: 5-methylheptyl 3-hydroxy-4-methyl-benzenesulfonate CAS Name: 3-hydroxy-4-methylbenzenesulfonic acid 5-methylheptyl ester IUPAC Name: 5-methylheptyl 3-hydroxy-4-methylbenzenesulfonate Traditional Name: 3-hydroxy-4-methyl-benzenesulfonic acid 5-methylheptyl ester Formula: C15H24O4S MolecularWeight: 300.41366

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCCOS(=O)(=O)C1=CC(=C(C=C1)C)O

Isomeric SMILES

CCC(C)CCCCOS(=O)(=O)C1=CC(=C(C=C1)C)O

InChI

InChI=1S/C15H24O4S/c1-4-12(2)7-5-6-10-19-20(17,18)14-9-8-13(3)15(16)11-14/h8-9,11-12,16H,4-7,10H2,1-3H3