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heptane; 4-methylbenzenesulfonate

heptane; 4-methylbenzenesulfonate

Systemtic Name:heptane; 4-methylbenzenesulfonate
Openeye Name:heptane; 4-methylbenzenesulfonate
CAS Name:heptane; 4-methylbenzenesulfonate
IUPAC Name:heptane; 4-methylbenzenesulfonate
Traditional Name:n-heptane tosylate
Formula: C14H23O3S-
MolecularWeight: 271.39562
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]


Isomeric SMILES

CCCCCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]


InChI

InChI=1S/C7H8O3S.C7H16/c1-6-2-4-7(5-3-6)11(8,9)10;1-3-5-7-6-4-2/h2-5H,1H3,(H,8,9,10);3-7H2,1-2H3/p-1


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