2-methylheptyl 4-methylbenzenesulfonate

Systemtic Name: 2-methylheptyl 4-methylbenzenesulfonate Openeye Name: 2-methylheptyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-methylheptyl ester IUPAC Name: 2-methylheptyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-methylheptyl ester Formula: C15H24O3S MolecularWeight: 284.41426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)COS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCC(C)COS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C15H24O3S/c1-4-5-6-7-14(3)12-18-19(16,17)15-10-8-13(2)9-11-15/h8-11,14H,4-7,12H2,1-3H3