6-methylheptan-2-yl 2-ethoxy-4-methyl-benzenesulfonate

Systemtic Name: 6-methylheptan-2-yl 2-ethoxy-4-methyl-benzenesulfonate Openeye Name: 1,5-dimethylhexyl 2-ethoxy-4-methyl-benzenesulfonate CAS Name: 2-ethoxy-4-methylbenzenesulfonic acid 6-methylheptan-2-yl ester IUPAC Name: 6-methylheptan-2-yl 2-ethoxy-4-methylbenzenesulfonate Traditional Name: 2-ethoxy-4-methyl-benzenesulfonic acid 1,5-dimethylhexyl ester Formula: C17H28O4S MolecularWeight: 328.46682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C)S(=O)(=O)OC(C)CCCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C)S(=O)(=O)OC(C)CCCC(C)C

InChI

InChI=1S/C17H28O4S/c1-6-20-16-12-14(4)10-11-17(16)22(18,19)21-15(5)9-7-8-13(2)3/h10-13,15H,6-9H2,1-5H3