methyl 4-methyl-2-octan-2-yl-benzenesulfonate

Systemtic Name: methyl 4-methyl-2-octan-2-yl-benzenesulfonate Openeye Name: methyl 4-methyl-2-(1-methylheptyl)benzenesulfonate CAS Name: 4-methyl-2-octan-2-ylbenzenesulfonic acid methyl ester IUPAC Name: methyl 4-methyl-2-octan-2-ylbenzenesulfonate Traditional Name: 4-methyl-2-(1-methylheptyl)benzenesulfonic acid methyl ester Formula: C16H26O3S MolecularWeight: 298.44084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C1=C(C=CC(=C1)C)S(=O)(=O)OC

Isomeric SMILES

CCCCCCC(C)C1=C(C=CC(=C1)C)S(=O)(=O)OC

InChI

InChI=1S/C16H26O3S/c1-5-6-7-8-9-14(3)15-12-13(2)10-11-16(15)20(17,18)19-4/h10-12,14H,5-9H2,1-4H3