(2-ethyl-4-methyl-heptyl) 4-methylbenzenesulfonate

Systemtic Name: (2-ethyl-4-methyl-heptyl) 4-methylbenzenesulfonate Openeye Name: (2-ethyl-4-methyl-heptyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-ethyl-4-methylheptyl) ester IUPAC Name: (2-ethyl-4-methylheptyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-ethyl-4-methyl-heptyl) ester Formula: C17H28O3S MolecularWeight: 312.46742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28O3S/c1-5-7-15(4)12-16(6-2)13-20-21(18,19)17-10-8-14(3)9-11-17/h8-11,15-16H,5-7,12-13H2,1-4H3