(3-methyl-3-oxidanyl-nonyl) 4-methylbenzenesulfonate

Systemtic Name: (3-methyl-3-oxidanyl-nonyl) 4-methylbenzenesulfonate Openeye Name: (3-hydroxy-3-methyl-nonyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-hydroxy-3-methylnonyl) ester IUPAC Name: (3-hydroxy-3-methylnonyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-hydroxy-3-methyl-nonyl) ester Formula: C17H28O4S MolecularWeight: 328.46682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(CCOS(=O)(=O)C1=CC=C(C=C1)C)O

Isomeric SMILES

CCCCCCC(C)(CCOS(=O)(=O)C1=CC=C(C=C1)C)O

InChI

InChI=1S/C17H28O4S/c1-4-5-6-7-12-17(3,18)13-14-21-22(19,20)16-10-8-15(2)9-11-16/h8-11,18H,4-7,12-14H2,1-3H3